[2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid

C14H9FN2O2 — CID 138680014

IUPAC[2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid
SMILESN#Cc1ccc(-c2cc(F)ccc2NC(=O)O)cc1
InChIInChI=1S/C14H9FN2O2/c15-11-5-6-13(17-14(18)19)12(7-11)10-3-1-9(8-16)2-4-10/h1-7,17H,(H,18,19)
InChIKeyPWZOKRFVNUBHHW-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.45
Rot. Bonds2

About [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid

[2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid (PubChem CID 138680014) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid
PubChem CID138680014
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name[2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid
SMILESN#Cc1ccc(-c2cc(F)ccc2NC(=O)O)cc1
InChIInChI=1S/C14H9FN2O2/c15-11-5-6-13(17-14(18)19)12(7-11)10-3-1-9(8-16)2-4-10/h1-7,17H,(H,18,19)
InChIKeyPWZOKRFVNUBHHW-UHFFFAOYSA-N
XLogP3.45
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
CID 22224953
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629
[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
CID 69316354
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
(4-fluoro-2-phenylphenyl)cyanamide
CID 19089223
[4-fluoro-2-(2-phenylethynyl)phenyl]carbamic acid
CID 151667979
(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767
[2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-4-(3-fluorophenyl)phenyl]carbamic acid
CID 22224573
[2-amino-4-(4-fluorophenyl)phenyl]carbamic acid
CID 22224702
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065
N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 71812072
2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 86825970

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid?
The IUPAC name of [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid (CID 138680014) is [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid.
What is the SMILES notation for [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid?
The canonical SMILES for [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid is N#Cc1ccc(-c2cc(F)ccc2NC(=O)O)cc1.
What is the InChIKey of [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid?
The InChIKey is PWZOKRFVNUBHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-11-5-6-13(17-14(18)19)12(7-11)10-3-1-9(8-16)2-4-10/h1-7,17H,(H,18,19).
What are the key properties of [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid?
[2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid has a molecular weight of 256.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyanophenyl)-4-fluorophenyl]carbamic acid is sourced from PubChem (CID 138680014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).