N-[1-(3-aminophenyl)ethyl]benzamide

C15H16N2O — CID 43297605

IUPACN-[1-(3-aminophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C15H16N2O/c1-11(13-8-5-9-14(16)10-13)17-15(18)12-6-3-2-4-7-12/h2-11H,16H2,1H3,(H,17,18)
InChIKeyZFZDDPIAERAJHR-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.76
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]benzamide

N-[1-(3-aminophenyl)ethyl]benzamide (PubChem CID 43297605) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]benzamide
PubChem CID43297605
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[1-(3-aminophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C15H16N2O/c1-11(13-8-5-9-14(16)10-13)17-15(18)12-6-3-2-4-7-12/h2-11H,16H2,1H3,(H,17,18)
InChIKeyZFZDDPIAERAJHR-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.76
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

N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
CID 114818581
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(3-aminophenyl)ethyl]-2-methylsulfanylbenzamide
CID 78984463
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]benzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]benzamide (CID 43297605) is N-[1-(3-aminophenyl)ethyl]benzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]benzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]benzamide?
The InChIKey is ZFZDDPIAERAJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(13-8-5-9-14(16)10-13)17-15(18)12-6-3-2-4-7-12/h2-11H,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(3-aminophenyl)ethyl]benzamide?
N-[1-(3-aminophenyl)ethyl]benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]benzamide is sourced from PubChem (CID 43297605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).