N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide

C23H23N3O2 — CID 59737305

IUPACN-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CC[C@H](O)C2)cc1
InChIInChI=1S/C23H23N3O2/c24-21-11-8-18(16-4-2-1-3-5-16)14-22(21)25-23(28)17-6-9-19(10-7-17)26-13-12-20(27)15-26/h1-11,14,20,27H,12-13,15,24H2,(H,25,28)/t20-/m0/s1
InChIKeyMWLOOTLZOLTATJ-FQEVSTJZSA-N
MW373.46 g/mol
LogP3.76
Rot. Bonds4

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

N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide (PubChem CID 59737305) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
PubChem CID59737305
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CC[C@H](O)C2)cc1
InChIInChI=1S/C23H23N3O2/c24-21-11-8-18(16-4-2-1-3-5-16)14-22(21)25-23(28)17-6-9-19(10-7-17)26-13-12-20(27)15-26/h1-11,14,20,27H,12-13,15,24H2,(H,25,28)/t20-/m0/s1
InChIKeyMWLOOTLZOLTATJ-FQEVSTJZSA-N
XLogP3.76
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.76
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-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59737562
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]benzamide
CID 159822265
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
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-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 174590628
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
[(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
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 174689316
4-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(5-amino-2-phenylphenyl)benzamide
CID 174677274
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide (CID 59737305) is N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CC[C@H](O)C2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide?
The InChIKey is MWLOOTLZOLTATJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-21-11-8-18(16-4-2-1-3-5-16)14-22(21)25-23(28)17-6-9-19(10-7-17)26-13-12-20(27)15-26/h1-11,14,20,27H,12-13,15,24H2,(H,25,28)/t20-/m0/s1.
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.76, 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-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide is sourced from PubChem (CID 59737305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).