4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide

C25H23Cl2N3O3 — CID 3365256

IUPAC4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Cl)cc(Cl)c3O)cc2)cc1
InChIInChI=1S/C25H23Cl2N3O3/c1-25(2,3)18-8-4-15(5-9-18)23(32)29-20-10-6-16(7-11-20)24(33)30-28-14-17-12-19(26)13-21(27)22(17)31/h4-14,31H,1-3H3,(H,29,32)(H,30,33)
InChIKeyQDUQKTSIWCALCA-UHFFFAOYSA-N
MW484.38 g/mol
LogP6.01
Rot. Bonds5

About 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide

4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 3365256) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
PubChem CID3365256
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC Name4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Cl)cc(Cl)c3O)cc2)cc1
InChIInChI=1S/C25H23Cl2N3O3/c1-25(2,3)18-8-4-15(5-9-18)23(32)29-20-10-6-16(7-11-20)24(33)30-28-14-17-12-19(26)13-21(27)22(17)31/h4-14,31H,1-3H3,(H,29,32)(H,30,33)
InChIKeyQDUQKTSIWCALCA-UHFFFAOYSA-N
XLogP6.01
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]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

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide
CID 136680564
N-[3-[[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 136774361
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
3-bromo-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 5196693
copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate
CID 135510087
4-[(4-chlorobenzoyl)amino]-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 171135932
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361735
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
4-[(4-bromobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836337
2,4-dichloro-N-[4-[[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173692
4-tert-butyl-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135582484
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide (CID 3365256) is 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Cl)cc(Cl)c3O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is QDUQKTSIWCALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c1-25(2,3)18-8-4-15(5-9-18)23(32)29-20-10-6-16(7-11-20)24(33)30-28-14-17-12-19(26)13-21(27)22(17)31/h4-14,31H,1-3H3,(H,29,32)(H,30,33).
What are the key properties of 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 484.38 g/mol, XLogP of 6.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3365256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).