(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate

C15H9Cl3FNO3 — CID 2798270

IUPAC(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(F)cccc1Cl)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3FNO3/c16-9-5-4-8(11(18)6-9)7-23-15(22)20-14(21)13-10(17)2-1-3-12(13)19/h1-6H,7H2,(H,20,21,22)
InChIKeyDTQQJUNAVVICCX-UHFFFAOYSA-N
MW376.60 g/mol
LogP4.85
Rot. Bonds3

About (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate

(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate (PubChem CID 2798270) has the molecular formula C15H9Cl3FNO3 and a molecular weight of 376.60 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
PubChem CID2798270
Molecular FormulaC15H9Cl3FNO3
Molecular Weight376.60 g/mol
Exact Mass374.96
IUPAC Name(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(F)cccc1Cl)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3FNO3/c16-9-5-4-8(11(18)6-9)7-23-15(22)20-14(21)13-10(17)2-1-3-12(13)19/h1-6H,7H2,(H,20,21,22)
InChIKeyDTQQJUNAVVICCX-UHFFFAOYSA-N
XLogP4.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 4162168
2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
CID 2780073
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515179
[5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate
CID 45277484
2-chloro-6-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340114
(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 2342593

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate (CID 2798270) is (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate is O=C(NC(=O)c1c(F)cccc1Cl)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate?
The InChIKey is DTQQJUNAVVICCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3FNO3/c16-9-5-4-8(11(18)6-9)7-23-15(22)20-14(21)13-10(17)2-1-3-12(13)19/h1-6H,7H2,(H,20,21,22).
What are the key properties of (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate?
(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate has a molecular weight of 376.60 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate is sourced from PubChem (CID 2798270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).