2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide

C18H18ClNO2 — CID 11841449

IUPAC2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO2/c1-12(2)11-20-18(22)16-6-4-3-5-15(16)17(21)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyVRAJQEYGSDVPNX-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.96
Rot. Bonds5

About 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide

2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide (PubChem CID 11841449) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
PubChem CID11841449
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO2/c1-12(2)11-20-18(22)16-6-4-3-5-15(16)17(21)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyVRAJQEYGSDVPNX-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorobenzoyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120655275
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 2314369
3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 23909275
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide
CID 46771617
2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide
CID 55536405
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630638
2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
CID 19296874
2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290508

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide (CID 11841449) is 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide?
The InChIKey is VRAJQEYGSDVPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-12(2)11-20-18(22)16-6-4-3-5-15(16)17(21)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide?
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide has a molecular weight of 315.80 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 11841449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).