N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide

C22H22N2O — CID 126707746

IUPACN-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C22H22N2O/c1-15(2)16-8-10-18(11-9-16)22(25)24-21-14-19(12-13-20(21)23)17-6-4-3-5-7-17/h3-15H,23H2,1-2H3,(H,24,25)
InChIKeyURVVHNACPGKCPI-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.31
Rot. Bonds4

About N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide

N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide (PubChem CID 126707746) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
PubChem CID126707746
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C22H22N2O/c1-15(2)16-8-10-18(11-9-16)22(25)24-21-14-19(12-13-20(21)23)17-6-4-3-5-7-17/h3-15H,23H2,1-2H3,(H,24,25)
InChIKeyURVVHNACPGKCPI-UHFFFAOYSA-N
XLogP5.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.31
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

[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-phenylphenyl)-4-azidobenzamide
CID 62706003
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide
CID 46887334
N-(2-amino-5-phenylphenyl)-4-[2-(4-chloroanilino)-1-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24753122
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide (CID 126707746) is N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide?
The InChIKey is URVVHNACPGKCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-15(2)16-8-10-18(11-9-16)22(25)24-21-14-19(12-13-20(21)23)17-6-4-3-5-7-17/h3-15H,23H2,1-2H3,(H,24,25).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide?
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 126707746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).