2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide

C14H13ClN2O — CID 36804802

IUPAC2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C14H13ClN2O/c1-10(13-8-4-5-9-16-13)17-14(18)11-6-2-3-7-12(11)15/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyBRPPWBLMIFCVOU-JTQLQIEISA-N
MW260.72 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide

2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide (PubChem CID 36804802) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
PubChem CID36804802
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C14H13ClN2O/c1-10(13-8-4-5-9-16-13)17-14(18)11-6-2-3-7-12(11)15/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyBRPPWBLMIFCVOU-JTQLQIEISA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
2-chloro-N-[(1R)-1-pyridin-2-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9362538
3-hydroxy-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 81443248
2-[2-(methylamino)ethyl]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 104548160
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
CID 25343199
5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 16676074

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide (CID 36804802) is 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)c1ccccn1.
What is the InChIKey of 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is BRPPWBLMIFCVOU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10(13-8-4-5-9-16-13)17-14(18)11-6-2-3-7-12(11)15/h2-10H,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 260.72 g/mol, XLogP of 3.23, 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-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 36804802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).