N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide

C23H20ClN3O4 — CID 71656387

IUPACN-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C23H20ClN3O4/c1-31-20-12-7-15(13-19(20)24)14-21(28)25-18-10-8-17(9-11-18)23(30)27-26-22(29)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyFELMXMYRADTSSF-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.60
Rot. Bonds6

About N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide

N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 71656387) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID71656387
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC NameN-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C23H20ClN3O4/c1-31-20-12-7-15(13-19(20)24)14-21(28)25-18-10-8-17(9-11-18)23(30)27-26-22(29)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyFELMXMYRADTSSF-UHFFFAOYSA-N
XLogP3.60
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-N-[4-[(cyclohexanecarbonylamino)carbamoyl]phenyl]acetamide
CID 71656488
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide
CID 174759764
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide (CID 71656387) is N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is FELMXMYRADTSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-31-20-12-7-15(13-19(20)24)14-21(28)25-18-10-8-17(9-11-18)23(30)27-26-22(29)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide?
N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 437.88 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 71656387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).