1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C19H19ClN2O3 — CID 86270841

IUPAC1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
InChIKeyYBQHFZNBCISVBS-UHFFFAOYSA-N
MW358.82 g/mol
LogP4.53
Rot. Bonds4

About 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 86270841) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID86270841
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC Name1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
InChIKeyYBQHFZNBCISVBS-UHFFFAOYSA-N
XLogP4.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-Dichloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 78319116
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-[[2-Phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86271032
1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
CID 86287798
(2S)-2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 939456
2-(N'-(4-chlorophenyl)ureido)-3-phenylpropanoic acid
CID 2974789
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

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 86270841) is 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YBQHFZNBCISVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 358.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 86270841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).