(2-fluoro-4-methylphenyl) N,N-diphenylcarbamate

C20H16FNO2 — CID 149161971

IUPAC(2-fluoro-4-methylphenyl) N,N-diphenylcarbamate
SMILESCc1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C20H16FNO2/c1-15-12-13-19(18(21)14-15)24-20(23)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyVAJDTYASYICTND-UHFFFAOYSA-N
MW321.35 g/mol
LogP5.47
Rot. Bonds3

About (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate

(2-fluoro-4-methylphenyl) N,N-diphenylcarbamate (PubChem CID 149161971) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl) N,N-diphenylcarbamate
PubChem CID149161971
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name(2-fluoro-4-methylphenyl) N,N-diphenylcarbamate
SMILESCc1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C20H16FNO2/c1-15-12-13-19(18(21)14-15)24-20(23)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyVAJDTYASYICTND-UHFFFAOYSA-N
XLogP5.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.35
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate?
The IUPAC name of (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate (CID 149161971) is (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate.
What is the SMILES notation for (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate?
The canonical SMILES for (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate is Cc1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate?
The InChIKey is VAJDTYASYICTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-15-12-13-19(18(21)14-15)24-20(23)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate?
(2-fluoro-4-methylphenyl) N,N-diphenylcarbamate has a molecular weight of 321.35 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl) N,N-diphenylcarbamate is sourced from PubChem (CID 149161971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).