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

C23H24N4O — CID 59737562

IUPACN-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C23H24N4O/c24-19-12-13-27(15-19)20-9-6-17(7-10-20)23(28)26-22-14-18(8-11-21(22)25)16-4-2-1-3-5-16/h1-11,14,19H,12-13,15,24-25H2,(H,26,28)/t19-/m1/s1
InChIKeyXWAJFWFNIFTNKL-LJQANCHMSA-N
MW372.47 g/mol
LogP3.73
Rot. Bonds4

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

N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide (PubChem CID 59737562) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
PubChem CID59737562
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C23H24N4O/c24-19-12-13-27(15-19)20-9-6-17(7-10-20)23(28)26-22-14-18(8-11-21(22)25)16-4-2-1-3-5-16/h1-11,14,19H,12-13,15,24-25H2,(H,26,28)/t19-/m1/s1
InChIKeyXWAJFWFNIFTNKL-LJQANCHMSA-N
XLogP3.73
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]benzamide
CID 159822265
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 174590628
N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 69101347
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]-(cyclopropylmethyl)carbamic acid
CID 69299626
2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid
CID 67396623
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 167815058
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] carbamate
CID 69032775
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide (CID 59737562) is N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CC[C@@H](N)C2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide?
The InChIKey is XWAJFWFNIFTNKL-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O/c24-19-12-13-27(15-19)20-9-6-17(7-10-20)23(28)26-22-14-18(8-11-21(22)25)16-4-2-1-3-5-16/h1-11,14,19H,12-13,15,24-25H2,(H,26,28)/t19-/m1/s1.
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide is sourced from PubChem (CID 59737562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).