N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide

C14H11Cl2FN2O — CID 115645448

IUPACN-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccncc1F
InChIInChI=1S/C14H11Cl2FN2O/c1-19(8-9-3-2-4-11(15)13(9)16)14(20)10-5-6-18-7-12(10)17/h2-7H,8H2,1H3
InChIKeyWMGFPPPRVODASV-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.80
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide

N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 115645448) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID115645448
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccncc1F
InChIInChI=1S/C14H11Cl2FN2O/c1-19(8-9-3-2-4-11(15)13(9)16)14(20)10-5-6-18-7-12(10)17/h2-7H,8H2,1H3
InChIKeyWMGFPPPRVODASV-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone
CID 107307992
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 115645822
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 47259850
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide (CID 115645448) is N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccncc1F.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is WMGFPPPRVODASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-19(8-9-3-2-4-11(15)13(9)16)14(20)10-5-6-18-7-12(10)17/h2-7H,8H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115645448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).