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

C17H14ClFN2O3 — CID 86271035

IUPAC1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1-c1ccc(F)cc1)NC1(C(=O)O)CC1
InChIInChI=1S/C17H14ClFN2O3/c18-11-3-6-14(13(9-11)10-1-4-12(19)5-2-10)20-16(24)21-17(7-8-17)15(22)23/h1-6,9H,7-8H2,(H,22,23)(H2,20,21,24)
InChIKeyUVMXRPXVZLAUGO-UHFFFAOYSA-N
MW348.76 g/mol
LogP3.88
Rot. Bonds4

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

1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid (PubChem CID 86271035) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is 1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
PubChem CID86271035
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1-c1ccc(F)cc1)NC1(C(=O)O)CC1
InChIInChI=1S/C17H14ClFN2O3/c18-11-3-6-14(13(9-11)10-1-4-12(19)5-2-10)20-16(24)21-17(7-8-17)15(22)23/h1-6,9H,7-8H2,(H,22,23)(H2,20,21,24)
InChIKeyUVMXRPXVZLAUGO-UHFFFAOYSA-N
XLogP3.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid (CID 86271035) is 1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(Cl)cc1-c1ccc(F)cc1)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is UVMXRPXVZLAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-11-3-6-14(13(9-11)10-1-4-12(19)5-2-10)20-16(24)21-17(7-8-17)15(22)23/h1-6,9H,7-8H2,(H,22,23)(H2,20,21,24).
What are the key properties of 1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid?
1-[[4-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 348.76 g/mol, XLogP of 3.88, 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-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 86271035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).