4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide

C17H18ClN3O2 — CID 112758997

IUPAC4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C17H18ClN3O2/c1-11(15-5-3-4-10-19-15)20-16(22)12(2)21-17(23)13-6-8-14(18)9-7-13/h3-12H,1-2H3,(H,20,22)(H,21,23)
InChIKeyCMYGHZSZSWKBKV-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.73
Rot. Bonds5

About 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide

4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide (PubChem CID 112758997) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
PubChem CID112758997
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C17H18ClN3O2/c1-11(15-5-3-4-10-19-15)20-16(22)12(2)21-17(23)13-6-8-14(18)9-7-13/h3-12H,1-2H3,(H,20,22)(H,21,23)
InChIKeyCMYGHZSZSWKBKV-UHFFFAOYSA-N
XLogP2.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399
2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide
CID 43523376

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide (CID 112758997) is 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)c1ccccn1.
What is the InChIKey of 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The InChIKey is CMYGHZSZSWKBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(15-5-3-4-10-19-15)20-16(22)12(2)21-17(23)13-6-8-14(18)9-7-13/h3-12H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide?
4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide has a molecular weight of 331.80 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 112758997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).