N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide

C19H18Cl2N2O3 — CID 139644819

IUPACN-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(Cl)C(=O)C(Cl)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-11(24)22-15-7-3-13(4-8-15)17(20)19(26)18(21)14-5-9-16(10-6-14)23-12(2)25/h3-10,17-18H,1-2H3,(H,22,24)(H,23,25)
InChIKeyGENGJVUCUXOBEA-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.43
Rot. Bonds6

About N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide

N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide (PubChem CID 139644819) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
PubChem CID139644819
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC NameN-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(Cl)C(=O)C(Cl)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-11(24)22-15-7-3-13(4-8-15)17(20)19(26)18(21)14-5-9-16(10-6-14)23-12(2)25/h3-10,17-18H,1-2H3,(H,22,24)(H,23,25)
InChIKeyGENGJVUCUXOBEA-UHFFFAOYSA-N
XLogP4.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[2-(4-acetamidophenyl)-2-chloroethyl]sulfonyl-1-chloroethyl]phenyl]acetamide
CID 139757852
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide
CID 86739754
N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide
CID 171862528
N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
CID 22563212
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
CID 171241846
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
N-(4-methylphenyl)acetamide
CID 7684
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595
4-acetamidobenzoyl chloride
CID 7010341
N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide
CID 131124936

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide (CID 139644819) is N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide is CC(=O)Nc1ccc(C(Cl)C(=O)C(Cl)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide?
The InChIKey is GENGJVUCUXOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-11(24)22-15-7-3-13(4-8-15)17(20)19(26)18(21)14-5-9-16(10-6-14)23-12(2)25/h3-10,17-18H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide?
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide has a molecular weight of 393.27 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide is sourced from PubChem (CID 139644819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).