4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid

C18H23ClN2O3 — CID 122008314

IUPAC4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(c2ccccc2Cl)CC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H23ClN2O3/c19-15-4-2-1-3-14(15)18(9-10-18)11-20-17(24)21-13-7-5-12(6-8-13)16(22)23/h1-4,12-13H,5-11H2,(H,22,23)(H2,20,21,24)
InChIKeyMFZHXPAPVMBTJN-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.31
Rot. Bonds5

About 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122008314) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122008314
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(c2ccccc2Cl)CC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H23ClN2O3/c19-15-4-2-1-3-14(15)18(9-10-18)11-20-17(24)21-13-7-5-12(6-8-13)16(22)23/h1-4,12-13H,5-11H2,(H,22,23)(H2,20,21,24)
InChIKeyMFZHXPAPVMBTJN-UHFFFAOYSA-N
XLogP3.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015655
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024164
N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 63516646
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016339
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023942
1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
CID 95805137
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
4-[(1-phenylpiperidin-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012468

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122008314) is 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid is O=C(NCC1(c2ccccc2Cl)CC1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MFZHXPAPVMBTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-15-4-2-1-3-14(15)18(9-10-18)11-20-17(24)21-13-7-5-12(6-8-13)16(22)23/h1-4,12-13H,5-11H2,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 350.85 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122008314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).