N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide

C15H13ClFN3O2 — CID 39819250

IUPACN-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFN3O2/c1-9(19-15(22)10-3-2-6-18-8-10)14(21)20-11-4-5-13(17)12(16)7-11/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKeyBDBWDAGHOCZQKG-VIFPVBQESA-N
MW321.74 g/mol
LogP2.63
Rot. Bonds4

About N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide

N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 39819250) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID39819250
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFN3O2/c1-9(19-15(22)10-3-2-6-18-8-10)14(21)20-11-4-5-13(17)12(16)7-11/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKeyBDBWDAGHOCZQKG-VIFPVBQESA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 25239194
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 10685889
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
CID 42960816
[1-(3,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23773848
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 39819250) is N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is BDBWDAGHOCZQKG-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c1-9(19-15(22)10-3-2-6-18-8-10)14(21)20-11-4-5-13(17)12(16)7-11/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 321.74 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 39819250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).