N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide

C22H22N2O — CID 47089077

IUPACN-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
SMILESCCN(C)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C22H22N2O/c1-3-24(2)19-13-9-12-18(16-19)23-22(25)21-15-8-7-14-20(21)17-10-5-4-6-11-17/h4-16H,3H2,1-2H3,(H,23,25)
InChIKeyLHJGGQDGKZHBPF-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.06
Rot. Bonds5

About N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide

N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide (PubChem CID 47089077) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
PubChem CID47089077
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
SMILESCCN(C)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C22H22N2O/c1-3-24(2)19-13-9-12-18(16-19)23-22(25)21-15-8-7-14-20(21)17-10-5-4-6-11-17/h4-16H,3H2,1-2H3,(H,23,25)
InChIKeyLHJGGQDGKZHBPF-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
N-[3-(diethylaminomethyl)phenyl]-2-phenylbenzamide
CID 38755706
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076
N-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-phenylbenzamide
CID 70144629
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide
CID 86961326
N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
CID 140508292
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926234
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide (CID 47089077) is N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide is CCN(C)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide?
The InChIKey is LHJGGQDGKZHBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-3-24(2)19-13-9-12-18(16-19)23-22(25)21-15-8-7-14-20(21)17-10-5-4-6-11-17/h4-16H,3H2,1-2H3,(H,23,25).
What are the key properties of N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide?
N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide is sourced from PubChem (CID 47089077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).