2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid

C15H19ClN2O3 — CID 64672747

IUPAC2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H19ClN2O3/c16-11-4-6-12(7-5-11)17-14(21)18-15(10-13(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,19,20)(H2,17,18,21)
InChIKeyCKNDFKHCCNYYFL-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.64
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid

2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid (PubChem CID 64672747) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
PubChem CID64672747
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H19ClN2O3/c16-11-4-6-12(7-5-11)17-14(21)18-15(10-13(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,19,20)(H2,17,18,21)
InChIKeyCKNDFKHCCNYYFL-UHFFFAOYSA-N
XLogP3.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 103480776
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64701883
2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64701805

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid (CID 64672747) is 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)Nc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid?
The InChIKey is CKNDFKHCCNYYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-11-4-6-12(7-5-11)17-14(21)18-15(10-13(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid?
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid has a molecular weight of 310.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64672747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).