5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide

C20H17ClN2O2 — CID 141087482

IUPAC5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H17ClN2O2/c21-15-8-11-19(18(12-15)20(22)24)23-13-14-6-9-17(10-7-14)25-16-4-2-1-3-5-16/h1-12,23H,13H2,(H2,22,24)
InChIKeyVJHMRMYCDWQTEN-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.84
Rot. Bonds6

About 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide

5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide (PubChem CID 141087482) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
PubChem CID141087482
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H17ClN2O2/c21-15-8-11-19(18(12-15)20(22)24)23-13-14-6-9-17(10-7-14)25-16-4-2-1-3-5-16/h1-12,23H,13H2,(H2,22,24)
InChIKeyVJHMRMYCDWQTEN-UHFFFAOYSA-N
XLogP4.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[(4-phenoxyphenyl)methylamino]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

2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide
CID 105358002
4-chloro-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208536
3-(2-carbamoyl-4-chloroanilino)propanoic acid
CID 62492779
5-chloro-2-[(4-cyclohexa-1,5-dien-1-ylphenyl)methylamino]benzamide
CID 67556659
5-amino-2-(5-chloro-2-phenoxyanilino)benzamide
CID 100654576
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
(2S)-2-[[5-chloro-2-(naphthalen-1-ylmethylamino)benzoyl]amino]-3-[4-(4-phenoxyphenyl)phenyl]propanoic acid
CID 58717951
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372
3-[[5-iodo-2-[(4-phenoxyphenyl)methylamino]benzoyl]amino]propanoic acid
CID 139971754
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
CID 174444931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide?
The IUPAC name of 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide (CID 141087482) is 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide?
The canonical SMILES for 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide is NC(=O)c1cc(Cl)ccc1NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide?
The InChIKey is VJHMRMYCDWQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-15-8-11-19(18(12-15)20(22)24)23-13-14-6-9-17(10-7-14)25-16-4-2-1-3-5-16/h1-12,23H,13H2,(H2,22,24).
What are the key properties of 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide?
5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide has a molecular weight of 352.82 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 141087482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).