5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide

C16H13ClF4N2O3 — CID 171547573

IUPAC5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(OC(F)F)c1)C(=O)c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C16H13ClF4N2O3/c1-23(8-9-3-2-4-11(5-9)25-15(18)19)14(24)12-6-10(17)7-22-13(12)26-16(20)21/h2-7,15-16H,8H2,1H3
InChIKeyCXAHXKXLLZYGSW-UHFFFAOYSA-N
MW392.74 g/mol
LogP4.21
Rot. Bonds7

About 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide

5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 171547573) has the molecular formula C16H13ClF4N2O3 and a molecular weight of 392.74 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID171547573
Molecular FormulaC16H13ClF4N2O3
Molecular Weight392.74 g/mol
Exact Mass392.06
IUPAC Name5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(OC(F)F)c1)C(=O)c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C16H13ClF4N2O3/c1-23(8-9-3-2-4-11(5-9)25-15(18)19)14(24)12-6-10(17)7-22-13(12)26-16(20)21/h2-7,15-16H,8H2,1H3
InChIKeyCXAHXKXLLZYGSW-UHFFFAOYSA-N
XLogP4.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.74
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 171547604
N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide
CID 55875327
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 171547538
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide
CID 171547725
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 56579218
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 171547530
2-[[3-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 119134927
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide (CID 171547573) is 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide is CN(Cc1cccc(OC(F)F)c1)C(=O)c1cc(Cl)cnc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is CXAHXKXLLZYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O3/c1-23(8-9-3-2-4-11(5-9)25-15(18)19)14(24)12-6-10(17)7-22-13(12)26-16(20)21/h2-7,15-16H,8H2,1H3.
What are the key properties of 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide?
5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 392.74 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 171547573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).