[2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid

C14H11ClFNO2 — CID 67529162

IUPAC[2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c15-13-7-10(9-3-5-12(16)6-4-9)1-2-11(13)8-17-14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyKKGQSRXSDWDOEA-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.91
Rot. Bonds3

About [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid

[2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid (PubChem CID 67529162) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid
PubChem CID67529162
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name[2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c15-13-7-10(9-3-5-12(16)6-4-9)1-2-11(13)8-17-14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyKKGQSRXSDWDOEA-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid?
The IUPAC name of [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid (CID 67529162) is [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid?
The canonical SMILES for [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid is O=C(O)NCc1ccc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid?
The InChIKey is KKGQSRXSDWDOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-13-7-10(9-3-5-12(16)6-4-9)1-2-11(13)8-17-14(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid?
[2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid has a molecular weight of 279.70 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 67529162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).