[2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid

C14H11ClFNO2 — CID 69312478

IUPAC[2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid
SMILESCc1ccc(-c2ccc(F)c(Cl)c2)c(NC(=O)O)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-2-4-10(13(6-8)17-14(18)19)9-3-5-12(16)11(15)7-9/h2-7,17H,1H3,(H,18,19)
InChIKeyPWHJZOUWEXGZDH-UHFFFAOYSA-N
MW279.70 g/mol
LogP4.54
Rot. Bonds2

About [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid

[2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid (PubChem CID 69312478) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid
PubChem CID69312478
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name[2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid
SMILESCc1ccc(-c2ccc(F)c(Cl)c2)c(NC(=O)O)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-2-4-10(13(6-8)17-14(18)19)9-3-5-12(16)11(15)7-9/h2-7,17H,1H3,(H,18,19)
InChIKeyPWHJZOUWEXGZDH-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamoyl 2,2,2-trifluoroacetate
CID 87780298
[2-(3-chloro-4-fluorophenyl)-4-methylphenyl]carbamoyl 2,2,2-trifluoroacetate
CID 87779755
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid
CID 68875995
butan-2-one;2-chloro-1-fluoro-4-methylbenzene
CID 144845866
[5-chloro-2-(4-fluoro-3-methylphenyl)phenyl]carbamoyl 2,2,2-trifluoroacetate
CID 87780323
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid (CID 69312478) is [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid is Cc1ccc(-c2ccc(F)c(Cl)c2)c(NC(=O)O)c1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid?
The InChIKey is PWHJZOUWEXGZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-2-4-10(13(6-8)17-14(18)19)9-3-5-12(16)11(15)7-9/h2-7,17H,1H3,(H,18,19).
What are the key properties of [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid?
[2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid has a molecular weight of 279.70 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid is sourced from PubChem (CID 69312478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).