N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

C17H16ClF3N2O2 — CID 2726972

IUPACN-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1cc(C(F)(F)F)c(C(=O)N(C)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H16ClF3N2O2/c1-3-25-15-8-14(17(19,20)21)13(9-22-15)16(24)23(2)10-11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyPTLJQVBIJZOXBJ-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.42
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726972) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726972
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC NameN-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1cc(C(F)(F)F)c(C(=O)N(C)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H16ClF3N2O2/c1-3-25-15-8-14(17(19,20)21)13(9-22-15)16(24)23(2)10-11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyPTLJQVBIJZOXBJ-UHFFFAOYSA-N
XLogP4.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727323
N-[(4-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813931
N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
CID 105069615
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
6-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 134031313
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726972) is N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is CCOc1cc(C(F)(F)F)c(C(=O)N(C)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PTLJQVBIJZOXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-3-25-15-8-14(17(19,20)21)13(9-22-15)16(24)23(2)10-11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 372.77 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).