1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid

C19H18ClFN2O3 — CID 86270934

IUPAC1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1-c1ccc(F)cc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C19H18ClFN2O3/c20-13-5-8-15(12-3-6-14(21)7-4-12)16(11-13)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26)
InChIKeyPDTYXZFDMKYTCF-UHFFFAOYSA-N
MW376.81 g/mol
LogP4.66
Rot. Bonds4

About 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid

1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 86270934) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.81 g/mol. Its IUPAC name is 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID86270934
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.81 g/mol
Exact Mass376.10
IUPAC Name1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1-c1ccc(F)cc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C19H18ClFN2O3/c20-13-5-8-15(12-3-6-14(21)7-4-12)16(11-13)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26)
InChIKeyPDTYXZFDMKYTCF-UHFFFAOYSA-N
XLogP4.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 86270934) is 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cc(Cl)ccc1-c1ccc(F)cc1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PDTYXZFDMKYTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-13-5-8-15(12-3-6-14(21)7-4-12)16(11-13)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26).
What are the key properties of 1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 376.81 g/mol, XLogP of 4.66, 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-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 86270934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).