3,4-dichloro-N-(1-phenylcyclopropyl)benzamide

C16H13Cl2NO — CID 110444165

IUPAC3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
SMILESO=C(NC1(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO/c17-13-7-6-11(10-14(13)18)15(20)19-16(8-9-16)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,20)
InChIKeyRQJWIGLOSWCFSM-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.41
Rot. Bonds3

About 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide

3,4-dichloro-N-(1-phenylcyclopropyl)benzamide (PubChem CID 110444165) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
PubChem CID110444165
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
SMILESO=C(NC1(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO/c17-13-7-6-11(10-14(13)18)15(20)19-16(8-9-16)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,20)
InChIKeyRQJWIGLOSWCFSM-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55461957
2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide
CID 82546637
N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide
CID 51112398
N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 46966677
2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide
CID 56788391
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
CID 51273167

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide (CID 110444165) is 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide is O=C(NC1(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide?
The InChIKey is RQJWIGLOSWCFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-13-7-6-11(10-14(13)18)15(20)19-16(8-9-16)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide?
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide has a molecular weight of 306.19 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 110444165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).