3-[4-[2-(benzylamino)ethyl]phenyl]benzamide

C22H22N2O — CID 58276622

IUPAC3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CCNCc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O/c23-22(25)21-8-4-7-20(15-21)19-11-9-17(10-12-19)13-14-24-16-18-5-2-1-3-6-18/h1-12,15,24H,13-14,16H2,(H2,23,25)
InChIKeyHMCUTIIPRVAHOA-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.78
Rot. Bonds7

About 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide

3-[4-[2-(benzylamino)ethyl]phenyl]benzamide (PubChem CID 58276622) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
PubChem CID58276622
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CCNCc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O/c23-22(25)21-8-4-7-20(15-21)19-11-9-17(10-12-19)13-14-24-16-18-5-2-1-3-6-18/h1-12,15,24H,13-14,16H2,(H2,23,25)
InChIKeyHMCUTIIPRVAHOA-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074
3-[4-[[2-(2,4,5-trifluoro-3-methylphenyl)ethylamino]methyl]phenyl]benzamide
CID 87232301
3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride
CID 68604070
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 59316493
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide
CID 59316443
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide?
The IUPAC name of 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide (CID 58276622) is 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide is NC(=O)c1cccc(-c2ccc(CCNCc3ccccc3)cc2)c1.
What is the InChIKey of 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide?
The InChIKey is HMCUTIIPRVAHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c23-22(25)21-8-4-7-20(15-21)19-11-9-17(10-12-19)13-14-24-16-18-5-2-1-3-6-18/h1-12,15,24H,13-14,16H2,(H2,23,25).
What are the key properties of 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide?
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide has a molecular weight of 330.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(benzylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 58276622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).