2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide

C15H13ClF2N2O — CID 146985648

IUPAC2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cnc(Cl)c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13ClF2N2O/c1-8-5-11(14(16)19-7-8)15(21)20-9(2)10-3-4-12(17)13(18)6-10/h3-7,9H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyAPEMENSHFZHKRB-VIFPVBQESA-N
MW310.73 g/mol
LogP3.81
Rot. Bonds3

About 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide

2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide (PubChem CID 146985648) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
PubChem CID146985648
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cnc(Cl)c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13ClF2N2O/c1-8-5-11(14(16)19-7-8)15(21)20-9(2)10-3-4-12(17)13(18)6-10/h3-7,9H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyAPEMENSHFZHKRB-VIFPVBQESA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.81
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-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62513333
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114918698
2-bromo-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 86669507
3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 103976921
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61040801
4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide (CID 146985648) is 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide is Cc1cnc(Cl)c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide?
The InChIKey is APEMENSHFZHKRB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-8-5-11(14(16)19-7-8)15(21)20-9(2)10-3-4-12(17)13(18)6-10/h3-7,9H,1-2H3,(H,20,21)/t9-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide?
2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide has a molecular weight of 310.73 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 146985648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).