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

C21H20ClNO2 — CID 55536405

IUPAC2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO2/c22-16-11-9-15(10-12-16)20(24)17-3-1-2-4-18(17)21(25)23-19(13-5-6-13)14-7-8-14/h1-4,9-14,19H,5-8H2,(H,23,25)
InChIKeyZVWXVDZGTKHRFE-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.49
Rot. Bonds6

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

2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide (PubChem CID 55536405) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide
PubChem CID55536405
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO2/c22-16-11-9-15(10-12-16)20(24)17-3-1-2-4-18(17)21(25)23-19(13-5-6-13)14-7-8-14/h1-4,9-14,19H,5-8H2,(H,23,25)
InChIKeyZVWXVDZGTKHRFE-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
CID 11841438
N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
CID 55547192
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 23909275
3-chloro-N-(dicyclopropylmethyl)benzamide
CID 18153337
2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86962081
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449
N-(dicyclopropylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662473
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
N-(dicyclopropylmethyl)-2-sulfamoylbenzamide
CID 61480528
2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 165365429

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide (CID 55536405) is 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide is O=C(NC(C1CC1)C1CC1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide?
The InChIKey is ZVWXVDZGTKHRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c22-16-11-9-15(10-12-16)20(24)17-3-1-2-4-18(17)21(25)23-19(13-5-6-13)14-7-8-14/h1-4,9-14,19H,5-8H2,(H,23,25).
What are the key properties of 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide?
2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide has a molecular weight of 353.85 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide is sourced from PubChem (CID 55536405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).