N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide

C16H13ClF2N2O2 — CID 14879194

IUPACN-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-20(11-8-6-10(17)7-9-11)16(23)21(2)15(22)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3
InChIKeySRLNFDDKGUWVTE-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.95
Rot. Bonds2

About N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide

N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide (PubChem CID 14879194) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide
PubChem CID14879194
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-20(11-8-6-10(17)7-9-11)16(23)21(2)15(22)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3
InChIKeySRLNFDDKGUWVTE-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diflubenzuron
CID 37123
Teflubenzuron
CID 91734
Clanfenur
CID 68684
N-(4-chlorophenyl)-N'-(2,4-difluorobenzoyl)urea
CID 2823829
3-(2,4-Dichlorophenyl)-6-fluoro-1-methylquinazoline-2,4-dione
CID 139596634
Pencycuron-ketone
CID 139595074
6-amino-3-benzyl-1-(4-chlorophenyl)-2,4(1H,3H)-pyrimidinedione
CID 2823053
3(4-Chlorobenzoyl)-1phenyl-imidazolidin-2,4-dione
CID 10615215
N-(4-chlorophenyl)-8-(2,6-difluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376037
N-(4-chloro-3-methylphenyl)-8-(2,6-difluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376130
3-({[(4-Chlorophenyl)amino]carbonyl}amino)benzamide
CID 794912
2,6-dichloro-N-(((4-chlorophenyl)amino)carbonyl)benzamide
CID 92300

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide (CID 14879194) is N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide is CN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide?
The InChIKey is SRLNFDDKGUWVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-20(11-8-6-10(17)7-9-11)16(23)21(2)15(22)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide?
N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide has a molecular weight of 338.74 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 14879194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).