N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide

C21H16Cl2N2O2 — CID 17119394

IUPACN-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-18-11-10-17(13-19(18)23)25-21(27)15-6-8-16(9-7-15)24-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,24,26)(H,25,27)
InChIKeyBMLBBEKEIBWVKX-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.43
Rot. Bonds5

About N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide

N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide (PubChem CID 17119394) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
PubChem CID17119394
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC NameN-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-18-11-10-17(13-19(18)23)25-21(27)15-6-8-16(9-7-15)24-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,24,26)(H,25,27)
InChIKeyBMLBBEKEIBWVKX-UHFFFAOYSA-N
XLogP5.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119387
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22779195
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559
1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
CID 10303103
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide (CID 17119394) is N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide is O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The InChIKey is BMLBBEKEIBWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-18-11-10-17(13-19(18)23)25-21(27)15-6-8-16(9-7-15)24-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,24,26)(H,25,27).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide?
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide has a molecular weight of 399.28 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 17119394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).