4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide

C17H16Cl2N2O3 — CID 7934807

IUPAC4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-24-15-7-6-13(10-14(15)19)21-16(22)8-9-20-17(23)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyRXYCPDCQESEYGZ-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.76
Rot. Bonds6

About 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide

4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide (PubChem CID 7934807) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
PubChem CID7934807
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-24-15-7-6-13(10-14(15)19)21-16(22)8-9-20-17(23)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyRXYCPDCQESEYGZ-UHFFFAOYSA-N
XLogP3.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042989
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
methyl 4-[3-(3-chloro-4-methoxyanilino)propanoylamino]benzoate
CID 109039039
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide (CID 7934807) is 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide is COc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide?
The InChIKey is RXYCPDCQESEYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-24-15-7-6-13(10-14(15)19)21-16(22)8-9-20-17(23)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide has a molecular weight of 367.23 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 7934807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).