1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C19H18Cl2N2O3 — CID 78319116

IUPAC1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)cc(Cl)c1-c1ccccc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C19H18Cl2N2O3/c20-13-10-14(21)16(12-6-2-1-3-7-12)15(11-13)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
InChIKeyXKZSVPIUPDFCIQ-UHFFFAOYSA-N
MW393.27 g/mol
LogP5.18
Rot. Bonds4

About 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 78319116) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID78319116
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)cc(Cl)c1-c1ccccc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C19H18Cl2N2O3/c20-13-10-14(21)16(12-6-2-1-3-7-12)15(11-13)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
InChIKeyXKZSVPIUPDFCIQ-UHFFFAOYSA-N
XLogP5.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-Chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 86270841
1-[[5-Chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86270934
1-[(5-Chloro-4-fluoro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 86270939
1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
CID 86287798
1-[(5-Chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 86270933
1-[(5-Chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 86270935
1-[(5-Chloro-4-fluoro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 86270936
1-[[5-Chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 86270937
1-[(4-Chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 86270938
1-[(3,5-Dichloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 86271031
1-[[4-Chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86271034
1-[(4-Chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 86271036

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 78319116) is 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cc(Cl)cc(Cl)c1-c1ccccc1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XKZSVPIUPDFCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-13-10-14(21)16(12-6-2-1-3-7-12)15(11-13)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26).
What are the key properties of 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 393.27 g/mol, XLogP of 5.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 78319116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).