3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide

C16H12Cl3FN2O — CID 46533927

IUPAC3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(c1nc(Cl)ccc1Cl)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H12Cl3FN2O/c17-11-2-1-3-13(20)10(11)8-22(9-4-5-9)16(23)15-12(18)6-7-14(19)21-15/h1-3,6-7,9H,4-5,8H2
InChIKeyBSQSXZYXRHDFKZ-UHFFFAOYSA-N
MW373.64 g/mol
LogP4.99
Rot. Bonds4

About 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide

3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 46533927) has the molecular formula C16H12Cl3FN2O and a molecular weight of 373.64 g/mol. Its IUPAC name is 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
PubChem CID46533927
Molecular FormulaC16H12Cl3FN2O
Molecular Weight373.64 g/mol
Exact Mass372.00
IUPAC Name3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(c1nc(Cl)ccc1Cl)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H12Cl3FN2O/c17-11-2-1-3-13(20)10(11)8-22(9-4-5-9)16(23)15-12(18)6-7-14(19)21-15/h1-3,6-7,9H,4-5,8H2
InChIKeyBSQSXZYXRHDFKZ-UHFFFAOYSA-N
XLogP4.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 54984139
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553427
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
CID 134003236
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
CID 46632706
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 63715633
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
CID 112722748
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46536550

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide (CID 46533927) is 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide is O=C(c1nc(Cl)ccc1Cl)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is BSQSXZYXRHDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3FN2O/c17-11-2-1-3-13(20)10(11)8-22(9-4-5-9)16(23)15-12(18)6-7-14(19)21-15/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide?
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 373.64 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 46533927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).