phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate

C14H11ClFNO2 — CID 18615647

IUPACphenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)c(F)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-9-7-13(12(16)8-11(9)15)17-14(18)19-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)
InChIKeyIXZNVMPQRBJDEJ-UHFFFAOYSA-N
MW279.70 g/mol
LogP4.40
Rot. Bonds2

About phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate

phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate (PubChem CID 18615647) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
PubChem CID18615647
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Namephenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)c(F)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-9-7-13(12(16)8-11(9)15)17-14(18)19-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)
InChIKeyIXZNVMPQRBJDEJ-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-5-methylaniline;phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 70115366
phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
CID 166590808
phenyl N-(4-chloro-2-fluoro-5-methylanilino)-N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 70115368
phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
CID 164584343
phenyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
CID 18615646
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate
CID 66804164
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
phenyl N-(2,6-difluoro-3-methylphenyl)carbamate
CID 82820468
phenyl N-(2,3,5-trifluorophenyl)carbamate
CID 64592474
phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164583961

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate?
The IUPAC name of phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate (CID 18615647) is phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate.
What is the SMILES notation for phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate?
The canonical SMILES for phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate is Cc1cc(NC(=O)Oc2ccccc2)c(F)cc1Cl.
What is the InChIKey of phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate?
The InChIKey is IXZNVMPQRBJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-9-7-13(12(16)8-11(9)15)17-14(18)19-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18).
What are the key properties of phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate?
phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate has a molecular weight of 279.70 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate is sourced from PubChem (CID 18615647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).