3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide

C18H18ClNO2 — CID 146701430

IUPAC3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
SMILESCc1ccc(CCNC(=O)C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO2/c1-13-2-4-14(5-3-13)10-11-20-18(22)17(21)12-15-6-8-16(19)9-7-15/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyQVCAOGKITSWGQF-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.12
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide

3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide (PubChem CID 146701430) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
PubChem CID146701430
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
SMILESCc1ccc(CCNC(=O)C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO2/c1-13-2-4-14(5-3-13)10-11-20-18(22)17(21)12-15-6-8-16(19)9-7-15/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyQVCAOGKITSWGQF-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294
N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462
3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide
CID 58065193
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide (CID 146701430) is 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide is Cc1ccc(CCNC(=O)C(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide?
The InChIKey is QVCAOGKITSWGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-13-2-4-14(5-3-13)10-11-20-18(22)17(21)12-15-6-8-16(19)9-7-15/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide?
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide has a molecular weight of 315.80 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide is sourced from PubChem (CID 146701430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).