4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid

C17H19Cl2NO3 — CID 119230221

IUPAC4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H19Cl2NO3/c18-14-6-3-10(7-15(14)19)12-8-13(12)16(21)20-11-4-1-9(2-5-11)17(22)23/h3,6-7,9,11-13H,1-2,4-5,8H2,(H,20,21)(H,22,23)
InChIKeyNJVUQVVFXQDOOE-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.86
Rot. Bonds4

About 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230221) has the molecular formula C17H19Cl2NO3 and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119230221
Molecular FormulaC17H19Cl2NO3
Molecular Weight356.25 g/mol
Exact Mass355.07
IUPAC Name4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H19Cl2NO3/c18-14-6-3-10(7-15(14)19)12-8-13(12)16(21)20-11-4-1-9(2-5-11)17(22)23/h3,6-7,9,11-13H,1-2,4-5,8H2,(H,20,21)(H,22,23)
InChIKeyNJVUQVVFXQDOOE-UHFFFAOYSA-N
XLogP3.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119451122
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid
CID 119199691
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]cyclopropane-1-carboxamide
CID 124731814
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
4-(3,4-dichloroanilino)cyclohexane-1-carboxylic acid
CID 112753567
4-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 125132036
cis-(1R,3S)-3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678040
cyclopropanecarboxylic acid;3,4-dichloroaniline
CID 70417782
cis-(1R,3S)-3-[[2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677185
trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide
CID 95760742

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid (CID 119230221) is 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NJVUQVVFXQDOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3/c18-14-6-3-10(7-15(14)19)12-8-13(12)16(21)20-11-4-1-9(2-5-11)17(22)23/h3,6-7,9,11-13H,1-2,4-5,8H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 356.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).