phenyl N-(4-chloro-2-fluorobenzoyl)carbamate

C14H9ClFNO3 — CID 171521775

IUPACphenyl N-(4-chloro-2-fluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccc(Cl)cc1F)Oc1ccccc1
InChIInChI=1S/C14H9ClFNO3/c15-9-6-7-11(12(16)8-9)13(18)17-14(19)20-10-4-2-1-3-5-10/h1-8H,(H,17,18,19)
InChIKeyBDEDOEVIELQIFY-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.41
Rot. Bonds2

About phenyl N-(4-chloro-2-fluorobenzoyl)carbamate

phenyl N-(4-chloro-2-fluorobenzoyl)carbamate (PubChem CID 171521775) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is phenyl N-(4-chloro-2-fluorobenzoyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-chloro-2-fluorobenzoyl)carbamate
PubChem CID171521775
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Namephenyl N-(4-chloro-2-fluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccc(Cl)cc1F)Oc1ccccc1
InChIInChI=1S/C14H9ClFNO3/c15-9-6-7-11(12(16)8-9)13(18)17-14(19)20-10-4-2-1-3-5-10/h1-8H,(H,17,18,19)
InChIKeyBDEDOEVIELQIFY-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichlorobenzyl N-(2-fluorobenzoyl)carbamate
CID 2798261
4-Chloro-N-((4-methoxyphenyl)methyl)benzamide
CID 720123
7-Chloro-2H-1,3-benzoxazine-2,4(3H)-dione
CID 21107362
4-chloro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]benzamide
CID 764748
4-Fluorophenyl benzoylcarbamate
CID 790834
[4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
CID 2798664
(2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate
CID 2798665
4-chloro-N-(2-(4-fluorophenoxy)ethyl)benzamide
CID 30349672
4-chloro-3-fluoro-N-(4-methoxybenzoyl)benzamide
CID 91071201
phenyl N-[(4-chlorobenzoyl)amino]carbamate
CID 2807268
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 24448015
Carbamic acid, (2,6-dichlorobenzoyl)-, 2,4-difluorophenyl ester
CID 2798657

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-chloro-2-fluorobenzoyl)carbamate?
The IUPAC name of phenyl N-(4-chloro-2-fluorobenzoyl)carbamate (CID 171521775) is phenyl N-(4-chloro-2-fluorobenzoyl)carbamate.
What is the SMILES notation for phenyl N-(4-chloro-2-fluorobenzoyl)carbamate?
The canonical SMILES for phenyl N-(4-chloro-2-fluorobenzoyl)carbamate is O=C(NC(=O)c1ccc(Cl)cc1F)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-chloro-2-fluorobenzoyl)carbamate?
The InChIKey is BDEDOEVIELQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-9-6-7-11(12(16)8-9)13(18)17-14(19)20-10-4-2-1-3-5-10/h1-8H,(H,17,18,19).
What are the key properties of phenyl N-(4-chloro-2-fluorobenzoyl)carbamate?
phenyl N-(4-chloro-2-fluorobenzoyl)carbamate has a molecular weight of 293.68 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-chloro-2-fluorobenzoyl)carbamate is sourced from PubChem (CID 171521775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).