N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide

C23H22ClN3O2 — CID 54843826

IUPACN-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C23H22ClN3O2/c24-21-9-5-4-8-19(21)15-26-22(28)16-25-20-12-10-18(11-13-20)23(29)27-14-17-6-2-1-3-7-17/h1-13,25H,14-16H2,(H,26,28)(H,27,29)
InChIKeyXKEACWSAWYURAX-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.00
Rot. Bonds8

About N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide

N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide (PubChem CID 54843826) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
PubChem CID54843826
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC NameN-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C23H22ClN3O2/c24-21-9-5-4-8-19(21)15-26-22(28)16-25-20-12-10-18(11-13-20)23(29)27-14-17-6-2-1-3-7-17/h1-13,25H,14-16H2,(H,26,28)(H,27,29)
InChIKeyXKEACWSAWYURAX-UHFFFAOYSA-N
XLogP4.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide 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

4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821696
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 54844035
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836415
N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54844190
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide (CID 54843826) is N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide is O=C(CNc1ccc(C(=O)NCc2ccccc2)cc1)NCc1ccccc1Cl.
What is the InChIKey of N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide?
The InChIKey is XKEACWSAWYURAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-21-9-5-4-8-19(21)15-26-22(28)16-25-20-12-10-18(11-13-20)23(29)27-14-17-6-2-1-3-7-17/h1-13,25H,14-16H2,(H,26,28)(H,27,29).
What are the key properties of N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide?
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide has a molecular weight of 407.90 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54843826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).