N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide

C27H23ClN4O3 — CID 70695695

IUPACN-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
SMILESNC(=O)[C@@H](Cc1ccccc1)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C27H23ClN4O3/c28-22-15-18(11-13-25(22)33)27(35)32-30-16-19-10-12-23(21-9-5-4-8-20(19)21)31-24(26(29)34)14-17-6-2-1-3-7-17/h1-13,15-16,24,31,33H,14H2,(H2,29,34)(H,32,35)/b30-16+/t24-/m1/s1
InChIKeyXNSDUPNJQXPEKW-ZYMKGWJUSA-N
MW486.96 g/mol
LogP4.47
Rot. Bonds8

About N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide

N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide (PubChem CID 70695695) has the molecular formula C27H23ClN4O3 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
PubChem CID70695695
Molecular FormulaC27H23ClN4O3
Molecular Weight486.96 g/mol
Exact Mass486.15
IUPAC NameN-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
SMILESNC(=O)[C@@H](Cc1ccccc1)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C27H23ClN4O3/c28-22-15-18(11-13-25(22)33)27(35)32-30-16-19-10-12-23(21-9-5-4-8-20(19)21)31-24(26(29)34)14-17-6-2-1-3-7-17/h1-13,15-16,24,31,33H,14H2,(H2,29,34)(H,32,35)/b30-16+/t24-/m1/s1
InChIKeyXNSDUPNJQXPEKW-ZYMKGWJUSA-N
XLogP4.47
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(E)-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 10918616
N-{4-[(3-Chloro-4-hydroxy-benzoyl)-hydrazonomethyl]-naphthalen-1-yl}-2,2-dimethyl-propionamide
CID 10928006
3-chloro-N-[(E)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 11082135
Cyclopentanecarboxylic acid {4-[(3-chloro-4-hydroxy-benzoyl)-hydrazonomethyl]-naphthalen-1-yl}-amide
CID 11102152
N-[(E)-[4-[bis(cyclopentanecarbonyl)amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 11145871
3-chloro-N-[(E)-[4-[(4-chlorophenyl)methylamino]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 44369092
N-[(E)-[4-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 71450867
2-chloro-N-[2-[4-(dimethylamino)phenyl]-1-({2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}carbonyl)vinyl]benzamide
CID 135505365
3-chloro-N-[(E)-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59091569
3-chloro-N-[(E)-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59091712
3-chloro-N-[(E)-[4-[2-[2-(4-fluoroanilino)ethylamino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59092039
3-chloro-N-[(E)-[4-[(3,5-difluorobenzoyl)amino]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59092315

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide (CID 70695695) is N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide is NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12.
What is the InChIKey of N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide?
The InChIKey is XNSDUPNJQXPEKW-ZYMKGWJUSA-N. The full InChI is InChI=1S/C27H23ClN4O3/c28-22-15-18(11-13-25(22)33)27(35)32-30-16-19-10-12-23(21-9-5-4-8-20(19)21)31-24(26(29)34)14-17-6-2-1-3-7-17/h1-13,15-16,24,31,33H,14H2,(H2,29,34)(H,32,35)/b30-16+/t24-/m1/s1.
What are the key properties of N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide?
N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide has a molecular weight of 486.96 g/mol, XLogP of 4.47, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 70695695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).