3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide

C18H16Cl3NO — CID 68585010

IUPAC3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide
SMILESCC1(C)C(NC(=O)c2ccc(Cl)c(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl3NO/c1-18(2)15(10-3-6-12(19)7-4-10)16(18)22-17(23)11-5-8-13(20)14(21)9-11/h3-9,15-16H,1-2H3,(H,22,23)
InChIKeyBICOHTMZWSIFHN-UHFFFAOYSA-N
MW368.69 g/mol
LogP5.57
Rot. Bonds3

About 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide

3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide (PubChem CID 68585010) has the molecular formula C18H16Cl3NO and a molecular weight of 368.69 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide
PubChem CID68585010
Molecular FormulaC18H16Cl3NO
Molecular Weight368.69 g/mol
Exact Mass367.03
IUPAC Name3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide
SMILESCC1(C)C(NC(=O)c2ccc(Cl)c(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl3NO/c1-18(2)15(10-3-6-12(19)7-4-10)16(18)22-17(23)11-5-8-13(20)14(21)9-11/h3-9,15-16H,1-2H3,(H,22,23)
InChIKeyBICOHTMZWSIFHN-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]pyridine-3-carboxamide
CID 68583160
N-[(3R)-3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]-2-methoxy-5-methylbenzamide
CID 143783759
N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide
CID 25255130
N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide
CID 68582335
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
CID 68582129
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
CID 25222733
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
5-chloro-N-[(1S,3S)-2,2-dimethyl-3-[4-(methylsulfamoyl)phenyl]cyclopropyl]-2,4-dimethoxybenzamide
CID 68581962
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide (CID 68585010) is 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide is CC1(C)C(NC(=O)c2ccc(Cl)c(Cl)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide?
The InChIKey is BICOHTMZWSIFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3NO/c1-18(2)15(10-3-6-12(19)7-4-10)16(18)22-17(23)11-5-8-13(20)14(21)9-11/h3-9,15-16H,1-2H3,(H,22,23).
What are the key properties of 3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide?
3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide has a molecular weight of 368.69 g/mol, XLogP of 5.57, 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-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide is sourced from PubChem (CID 68585010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).