N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide

C18H17N3O — CID 174854495

IUPACN-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2cccc2)cc1
InChIInChI=1S/C18H17N3O/c19-16-5-1-2-6-17(16)20-18(22)15-9-7-14(8-10-15)13-21-11-3-4-12-21/h1-12H,13,19H2,(H,20,22)
InChIKeyWKVDIYMKGLOLNG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.37
Rot. Bonds4

About N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide

N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide (PubChem CID 174854495) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
PubChem CID174854495
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2cccc2)cc1
InChIInChI=1S/C18H17N3O/c19-16-5-1-2-6-17(16)20-18(22)15-9-7-14(8-10-15)13-21-11-3-4-12-21/h1-12H,13,19H2,(H,20,22)
InChIKeyWKVDIYMKGLOLNG-UHFFFAOYSA-N
XLogP3.37
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
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4-[(2-aminophenyl)carbamoyl]benzoic acid
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N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43921399
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CID 139951393
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 20785789
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
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N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide (CID 174854495) is N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide is Nc1ccccc1NC(=O)c1ccc(Cn2cccc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide?
The InChIKey is WKVDIYMKGLOLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-16-5-1-2-6-17(16)20-18(22)15-9-7-14(8-10-15)13-21-11-3-4-12-21/h1-12H,13,19H2,(H,20,22).
What are the key properties of N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide?
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide has a molecular weight of 291.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide is sourced from PubChem (CID 174854495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).