N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide

C16H13ClF2N2O2 — CID 86865949

IUPACN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C16H13ClF2N2O2/c1-9-5-6-13(10(17)7-9)21-14(22)8-20-16(23)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyYBHPRRKPNDXVDA-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide

N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide (PubChem CID 86865949) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
PubChem CID86865949
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C16H13ClF2N2O2/c1-9-5-6-13(10(17)7-9)21-14(22)8-20-16(23)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyYBHPRRKPNDXVDA-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide
CID 60602258
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567890

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide (CID 86865949) is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide is Cc1ccc(NC(=O)CNC(=O)c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide?
The InChIKey is YBHPRRKPNDXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-9-5-6-13(10(17)7-9)21-14(22)8-20-16(23)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide?
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide has a molecular weight of 338.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 86865949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).