N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H11Cl2F3N2O2 — CID 2100500

IUPACN-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C15H11Cl2F3N2O2/c1-8-10(16)3-2-4-12(8)21-13(23)7-22-6-9(15(18,19)20)5-11(17)14(22)24/h2-6H,7H2,1H3,(H,21,23)
InChIKeyOLLJQWOWTWTCTN-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.12
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2100500) has the molecular formula C15H11Cl2F3N2O2 and a molecular weight of 379.17 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2100500
Molecular FormulaC15H11Cl2F3N2O2
Molecular Weight379.17 g/mol
Exact Mass378.01
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C15H11Cl2F3N2O2/c1-8-10(16)3-2-4-12(8)21-13(23)7-22-6-9(15(18,19)20)5-11(17)14(22)24/h2-6H,7H2,1H3,(H,21,23)
InChIKeyOLLJQWOWTWTCTN-UHFFFAOYSA-N
XLogP4.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104
N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxo-1-propen-1-YL]phenyl]-acetamide
CID 11743399
2-chloro-N-({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)-N-(propan-2-yl)acetamide
CID 2103995
1-allyl-N-(3-chloro-4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486112
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-2-(1-piperidinyl)acetamide
CID 2200094
N-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}-2-fluorobenzamide
CID 2224194
N-(2-(3-(4-(4-fluorobenzyl)piperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10001921
1-(2-Chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52946739
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)pyridin-3-yl]amino]methyl]-1H-quinolin-2-one
CID 118955448
6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 156905885
N-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}-4-fluorobenzamide
CID 2240664

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2100500) is N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is OLLJQWOWTWTCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O2/c1-8-10(16)3-2-4-12(8)21-13(23)7-22-6-9(15(18,19)20)5-11(17)14(22)24/h2-6H,7H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 379.17 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2100500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).