[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate

C16H14F2N2O3 — CID 2739042

IUPAC[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C16H14F2N2O3/c1-20(2)16(22)23-11-6-3-5-10(9-11)19-15(21)14-12(17)7-4-8-13(14)18/h3-9H,1-2H3,(H,19,21)
InChIKeyKCOIHBAAJSXSRX-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.28
Rot. Bonds3

About [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate

[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate (PubChem CID 2739042) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
PubChem CID2739042
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C16H14F2N2O3/c1-20(2)16(22)23-11-6-3-5-10(9-11)19-15(21)14-12(17)7-4-8-13(14)18/h3-9H,1-2H3,(H,19,21)
InChIKeyKCOIHBAAJSXSRX-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
CID 2739041
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid
CID 141120818
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 154118331
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800

Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate (CID 2739042) is [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc(NC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate?
The InChIKey is KCOIHBAAJSXSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-20(2)16(22)23-11-6-3-5-10(9-11)19-15(21)14-12(17)7-4-8-13(14)18/h3-9H,1-2H3,(H,19,21).
What are the key properties of [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate?
[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate has a molecular weight of 320.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 2739042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).