(5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid

C14H11ClFNO2 — CID 170319571

IUPAC(5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid
SMILESCc1cc(F)c(N(C(=O)O)c2ccccc2)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-9-7-12(16)13(8-11(9)15)17(14(18)19)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeyRIFMWJNXBSEORK-UHFFFAOYSA-N
MW279.70 g/mol
LogP4.60
Rot. Bonds2

About (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid

(5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid (PubChem CID 170319571) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid.

Molecular Properties

Compound Name(5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid
PubChem CID170319571
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name(5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid
SMILESCc1cc(F)c(N(C(=O)O)c2ccccc2)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-9-7-12(16)13(8-11(9)15)17(14(18)19)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeyRIFMWJNXBSEORK-UHFFFAOYSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Chloro-4-methylphenylcarbamic acid
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1-(3-Chloro-4-methylphenyl)-3-(3-fluorophenyl)urea
CID 727775
2-(N-benzyl-3-chloro-4-fluoroanilino)acetic acid
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[3-Chloro-4-(trifluoromethyl)phenyl]carbamic acid
CID 18611157
1-(3-Chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 51046141
[4-Chloro-3-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 66589336
Tert-butyl-[4-[1-chloro-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]carbamic acid
CID 67169871
[3-Chloro-4-(trifluoromethyl)phenyl]-phenylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid?
The IUPAC name of (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid (CID 170319571) is (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid.
What is the SMILES notation for (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid?
The canonical SMILES for (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid is Cc1cc(F)c(N(C(=O)O)c2ccccc2)cc1Cl.
What is the InChIKey of (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid?
The InChIKey is RIFMWJNXBSEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-9-7-12(16)13(8-11(9)15)17(14(18)19)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19).
What are the key properties of (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid?
(5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid has a molecular weight of 279.70 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluoro-4-methylphenyl)-phenylcarbamic acid is sourced from PubChem (CID 170319571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).