2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide

C14H14ClN3O — CID 55244513

IUPAC2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCc1cccnc1
InChIInChI=1S/C14H14ClN3O/c15-11-4-1-5-12(16)13(11)14(19)18-8-6-10-3-2-7-17-9-10/h1-5,7,9H,6,8,16H2,(H,18,19)
InChIKeyOUNQBGQQXPDJOQ-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.29
Rot. Bonds4

About 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide

2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 55244513) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID55244513
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCc1cccnc1
InChIInChI=1S/C14H14ClN3O/c15-11-4-1-5-12(16)13(11)14(19)18-8-6-10-3-2-7-17-9-10/h1-5,7,9H,6,8,16H2,(H,18,19)
InChIKeyOUNQBGQQXPDJOQ-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 60895526
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776
2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 55041746
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
CID 114038414
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide (CID 55244513) is 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide is Nc1cccc(Cl)c1C(=O)NCCc1cccnc1.
What is the InChIKey of 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is OUNQBGQQXPDJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-4-1-5-12(16)13(11)14(19)18-8-6-10-3-2-7-17-9-10/h1-5,7,9H,6,8,16H2,(H,18,19).
What are the key properties of 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide?
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 275.74 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 55244513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).