2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide

C12H13ClFNO2 — CID 117045039

IUPAC2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
SMILESCC(=O)CN(C)C(=O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C12H13ClFNO2/c1-7-4-10(13)9(5-11(7)14)12(17)15(3)6-8(2)16/h4-5H,6H2,1-3H3
InChIKeyCZDAJZCANZCEMA-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.45
Rot. Bonds3

About 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide

2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide (PubChem CID 117045039) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
PubChem CID117045039
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
SMILESCC(=O)CN(C)C(=O)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C12H13ClFNO2/c1-7-4-10(13)9(5-11(7)14)12(17)15(3)6-8(2)16/h4-5H,6H2,1-3H3
InChIKeyCZDAJZCANZCEMA-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
CID 117045026
2-chloro-5-fluoro-N,4-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 117045006
2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
CID 117045049
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 117045024
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920451
N-(3-aminobutyl)-2-chloro-5-fluoro-4-methylbenzamide
CID 117044369
1-(2-chloro-5-fluoro-4-methylphenyl)-2-pyrimidin-2-ylethanone
CID 116833116
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide?
The IUPAC name of 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide (CID 117045039) is 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide is CC(=O)CN(C)C(=O)c1cc(F)c(C)cc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide?
The InChIKey is CZDAJZCANZCEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-7-4-10(13)9(5-11(7)14)12(17)15(3)6-8(2)16/h4-5H,6H2,1-3H3.
What are the key properties of 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide?
2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide has a molecular weight of 257.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 117045039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).