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

C23H24N4O — CID 174590628

IUPACN-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
SMILESNc1ccc(-c2ccccc2)c(NC(=O)c2ccc(N3CC[C@@H](N)C3)cc2)c1
InChIInChI=1S/C23H24N4O/c24-18-8-11-21(16-4-2-1-3-5-16)22(14-18)26-23(28)17-6-9-20(10-7-17)27-13-12-19(25)15-27/h1-11,14,19H,12-13,15,24-25H2,(H,26,28)/t19-/m1/s1
InChIKeyNIKDWRRQDURMTN-LJQANCHMSA-N
MW372.47 g/mol
LogP3.73
Rot. Bonds4

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

N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide (PubChem CID 174590628) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
PubChem CID174590628
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
SMILESNc1ccc(-c2ccccc2)c(NC(=O)c2ccc(N3CC[C@@H](N)C3)cc2)c1
InChIInChI=1S/C23H24N4O/c24-18-8-11-21(16-4-2-1-3-5-16)22(14-18)26-23(28)17-6-9-20(10-7-17)27-13-12-19(25)15-27/h1-11,14,19H,12-13,15,24-25H2,(H,26,28)/t19-/m1/s1
InChIKeyNIKDWRRQDURMTN-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

4-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(5-amino-2-phenylphenyl)benzamide
CID 174677274
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 174689316
N-(5-amino-2-phenylphenyl)-4-[(3S)-3-[[2-(dimethylamino)acetyl]amino]pyrrolidin-1-yl]benzamide
CID 174689348
N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59737562
N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
CID 174575864
4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 149052583
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-[(3S)-3-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]benzamide
CID 159822265
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
4-(3-aminopyrrolidin-1-yl)benzoyl chloride
CID 163480008

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide?
The IUPAC name of N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide (CID 174590628) is N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide is Nc1ccc(-c2ccccc2)c(NC(=O)c2ccc(N3CC[C@@H](N)C3)cc2)c1.
What is the InChIKey of N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide?
The InChIKey is NIKDWRRQDURMTN-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O/c24-18-8-11-21(16-4-2-1-3-5-16)22(14-18)26-23(28)17-6-9-20(10-7-17)27-13-12-19(25)15-27/h1-11,14,19H,12-13,15,24-25H2,(H,26,28)/t19-/m1/s1.
What are the key properties of N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide?
N-(5-amino-2-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-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide is sourced from PubChem (CID 174590628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).