1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid

C17H15ClN2O3 — CID 86270938

IUPAC1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1-c1ccccc1)NC1(C(=O)O)CC1
InChIInChI=1S/C17H15ClN2O3/c18-12-6-7-14(13(10-12)11-4-2-1-3-5-11)19-16(23)20-17(8-9-17)15(21)22/h1-7,10H,8-9H2,(H,21,22)(H2,19,20,23)
InChIKeyBUNMXOSASAYWTL-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.75
Rot. Bonds4

About 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid

1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid (PubChem CID 86270938) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
PubChem CID86270938
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1-c1ccccc1)NC1(C(=O)O)CC1
InChIInChI=1S/C17H15ClN2O3/c18-12-6-7-14(13(10-12)11-4-2-1-3-5-11)19-16(23)20-17(8-9-17)15(21)22/h1-7,10H,8-9H2,(H,21,22)(H2,19,20,23)
InChIKeyBUNMXOSASAYWTL-UHFFFAOYSA-N
XLogP3.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.75
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-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
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-[(3,5-Dichloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 86271031
1-[[2-Phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 86271033
1-[[4-Chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86271034

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid (CID 86270938) is 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(Cl)cc1-c1ccccc1)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is BUNMXOSASAYWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-12-6-7-14(13(10-12)11-4-2-1-3-5-11)19-16(23)20-17(8-9-17)15(21)22/h1-7,10H,8-9H2,(H,21,22)(H2,19,20,23).
What are the key properties of 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid?
1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 330.77 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 86270938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).