2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide

C17H23Cl2NO2 — CID 111480579

IUPAC2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H23Cl2NO2/c1-10(21)8-17(2,3)9-20-16(22)13-7-12(13)11-4-5-14(18)15(19)6-11/h4-6,10,12-13,21H,7-9H2,1-3H3,(H,20,22)
InChIKeyVUYASWXXKFTIEL-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.01
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide

2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide (PubChem CID 111480579) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
PubChem CID111480579
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H23Cl2NO2/c1-10(21)8-17(2,3)9-20-16(22)13-7-12(13)11-4-5-14(18)15(19)6-11/h4-6,10,12-13,21H,7-9H2,1-3H3,(H,20,22)
InChIKeyVUYASWXXKFTIEL-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid
CID 119199691
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95242853
2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 110003025
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 95279473
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95243220
trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124734215

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide (CID 111480579) is 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide is CC(O)CC(C)(C)CNC(=O)C1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide?
The InChIKey is VUYASWXXKFTIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-10(21)8-17(2,3)9-20-16(22)13-7-12(13)11-4-5-14(18)15(19)6-11/h4-6,10,12-13,21H,7-9H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide?
2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide has a molecular weight of 344.28 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111480579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).