N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide

C25H28N4O — CID 174689316

IUPACN-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
SMILESCN(C)[C@@H]1CCN(c2ccc(C(=O)Nc3cc(N)ccc3-c3ccccc3)cc2)C1
InChIInChI=1S/C25H28N4O/c1-28(2)22-14-15-29(17-22)21-11-8-19(9-12-21)25(30)27-24-16-20(26)10-13-23(24)18-6-4-3-5-7-18/h3-13,16,22H,14-15,17,26H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyJYGBAALPIGZZEM-JOCHJYFZSA-N
MW400.53 g/mol
LogP4.33
Rot. Bonds5

About N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide

N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide (PubChem CID 174689316) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
PubChem CID174689316
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
SMILESCN(C)[C@@H]1CCN(c2ccc(C(=O)Nc3cc(N)ccc3-c3ccccc3)cc2)C1
InChIInChI=1S/C25H28N4O/c1-28(2)22-14-15-29(17-22)21-11-8-19(9-12-21)25(30)27-24-16-20(26)10-13-23(24)18-6-4-3-5-7-18/h3-13,16,22H,14-15,17,26H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyJYGBAALPIGZZEM-JOCHJYFZSA-N
XLogP4.33
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 174590628
4-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(5-amino-2-phenylphenyl)benzamide
CID 174677274
N-(5-amino-2-phenylphenyl)-4-[(3S)-3-[[2-(dimethylamino)acetyl]amino]pyrrolidin-1-yl]benzamide
CID 174689348
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 69101347
N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
CID 174575864
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-3-ethyl-4-phenylbenzamide
CID 58866504
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]-(cyclopropylmethyl)carbamic acid
CID 69299626
N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59737562
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]-(oxan-4-yl)carbamic acid
CID 118643888

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide?
The IUPAC name of N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide (CID 174689316) is N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide is CN(C)[C@@H]1CCN(c2ccc(C(=O)Nc3cc(N)ccc3-c3ccccc3)cc2)C1.
What is the InChIKey of N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide?
The InChIKey is JYGBAALPIGZZEM-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O/c1-28(2)22-14-15-29(17-22)21-11-8-19(9-12-21)25(30)27-24-16-20(26)10-13-23(24)18-6-4-3-5-7-18/h3-13,16,22H,14-15,17,26H2,1-2H3,(H,27,30)/t22-/m1/s1.
What are the key properties of N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide?
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide has a molecular weight of 400.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 174689316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).