4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide

C19H18Cl2N2O3 — CID 110625404

IUPAC4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1cccc(Cl)c1)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-6-4-13(5-7-15)11-22-19(26)12-23-18(25)9-8-17(24)14-2-1-3-16(21)10-14/h1-7,10H,8-9,11-12H2,(H,22,26)(H,23,25)
InChIKeyHHQAYNMYLZDTBR-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.39
Rot. Bonds8

About 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide

4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide (PubChem CID 110625404) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide
PubChem CID110625404
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1cccc(Cl)c1)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-6-4-13(5-7-15)11-22-19(26)12-23-18(25)9-8-17(24)14-2-1-3-16(21)10-14/h1-7,10H,8-9,11-12H2,(H,22,26)(H,23,25)
InChIKeyHHQAYNMYLZDTBR-UHFFFAOYSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 110410161
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344819
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408497
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
4-(2-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]butanamide
CID 110625400
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide (CID 110625404) is 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide is O=C(CCC(=O)c1cccc(Cl)c1)NCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide?
The InChIKey is HHQAYNMYLZDTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-15-6-4-13(5-7-15)11-22-19(26)12-23-18(25)9-8-17(24)14-2-1-3-16(21)10-14/h1-7,10H,8-9,11-12H2,(H,22,26)(H,23,25).
What are the key properties of 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide?
4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide has a molecular weight of 393.27 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide is sourced from PubChem (CID 110625404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).