3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide

C15H15ClN2O — CID 28722348

IUPAC3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O/c16-13-5-1-3-11(9-13)7-8-18-15(19)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8,17H2,(H,18,19)
InChIKeyLTXMEXVJIINEIS-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide

3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide (PubChem CID 28722348) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
PubChem CID28722348
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O/c16-13-5-1-3-11(9-13)7-8-18-15(19)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8,17H2,(H,18,19)
InChIKeyLTXMEXVJIINEIS-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide (CID 28722348) is 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide is Nc1cccc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide?
The InChIKey is LTXMEXVJIINEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-5-1-3-11(9-13)7-8-18-15(19)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8,17H2,(H,18,19).
What are the key properties of 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide?
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 28722348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).