2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide

C13H9Cl2FN2O — CID 110851489

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccnc(Cl)c1F
InChIInChI=1S/C13H9Cl2FN2O/c14-9-3-1-8(2-4-9)7-18-13(19)10-5-6-17-12(15)11(10)16/h1-6H,7H2,(H,18,19)
InChIKeyAKMPTYMJSKCKIG-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.46
Rot. Bonds3

About 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide

2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 110851489) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide
PubChem CID110851489
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccnc(Cl)c1F
InChIInChI=1S/C13H9Cl2FN2O/c14-9-3-1-8(2-4-9)7-18-13(19)10-5-6-17-12(15)11(10)16/h1-6H,7H2,(H,18,19)
InChIKeyAKMPTYMJSKCKIG-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
2-chloro-N-[(4-hydroxyphenyl)methyl]-3-nitropyridine-4-carboxamide
CID 115735377
3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 105387848
2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
CID 110299117
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide (CID 110851489) is 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccnc(Cl)c1F.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is AKMPTYMJSKCKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-9-3-1-8(2-4-9)7-18-13(19)10-5-6-17-12(15)11(10)16/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide?
2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 110851489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).