3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide

C16H16ClN3O2 — CID 110676844

IUPAC3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c1-11(21)19-14(12-5-4-6-13(17)9-12)10-16(22)20-15-7-2-3-8-18-15/h2-9,14H,10H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyWNIARVCEIRMNST-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.94
Rot. Bonds5

About 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide

3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide (PubChem CID 110676844) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide
PubChem CID110676844
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c1-11(21)19-14(12-5-4-6-13(17)9-12)10-16(22)20-15-7-2-3-8-18-15/h2-9,14H,10H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyWNIARVCEIRMNST-UHFFFAOYSA-N
XLogP2.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
[1-[[3-acetamido-3-(3-chlorophenyl)propanoyl]amino]-2-(3-methylphenyl)ethyl]boronic acid
CID 123587024
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 95325065

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide (CID 110676844) is 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide?
The InChIKey is WNIARVCEIRMNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11(21)19-14(12-5-4-6-13(17)9-12)10-16(22)20-15-7-2-3-8-18-15/h2-9,14H,10H2,1H3,(H,19,21)(H,18,20,22).
What are the key properties of 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide?
3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide has a molecular weight of 317.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 110676844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).