N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide

C16H16ClF3N3O2+ — CID 7873296

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(C(F)(F)F)c[nH+]1
InChIInChI=1S/C16H15ClF3N3O2/c1-23(14-6-3-10(8-21-14)16(18,19)20)9-15(24)22-12-7-11(17)4-5-13(12)25-2/h3-8H,9H2,1-2H3,(H,22,24)/p+1
InChIKeyXICDNMKNQIZUHJ-UHFFFAOYSA-O
MW374.77 g/mol
LogP3.26
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide (PubChem CID 7873296) has the molecular formula C16H16ClF3N3O2+ and a molecular weight of 374.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide
PubChem CID7873296
Molecular FormulaC16H16ClF3N3O2+
Molecular Weight374.77 g/mol
Exact Mass374.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(C(F)(F)F)c[nH+]1
InChIInChI=1S/C16H15ClF3N3O2/c1-23(14-6-3-10(8-21-14)16(18,19)20)9-15(24)22-12-7-11(17)4-5-13(12)25-2/h3-8H,9H2,1-2H3,(H,22,24)/p+1
InChIKeyXICDNMKNQIZUHJ-UHFFFAOYSA-O
XLogP3.26
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide
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2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
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2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
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N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide (CID 7873296) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(C(F)(F)F)c[nH+]1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide?
The InChIKey is XICDNMKNQIZUHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15ClF3N3O2/c1-23(14-6-3-10(8-21-14)16(18,19)20)9-15(24)22-12-7-11(17)4-5-13(12)25-2/h3-8H,9H2,1-2H3,(H,22,24)/p+1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide has a molecular weight of 374.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide is sourced from PubChem (CID 7873296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).