1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide

C18H16N4O2 — CID 71483953

IUPAC1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide
SMILESNc1cccc(NC(=O)c2cccc(C(=O)Nc3cc[nH]c3)c2)c1
InChIInChI=1S/C18H16N4O2/c19-14-5-2-6-15(10-14)21-17(23)12-3-1-4-13(9-12)18(24)22-16-7-8-20-11-16/h1-11,20H,19H2,(H,21,23)(H,22,24)
InChIKeyKMEWUOOSNKBGJM-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.10
Rot. Bonds4

About 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide

1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide (PubChem CID 71483953) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide
PubChem CID71483953
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide
SMILESNc1cccc(NC(=O)c2cccc(C(=O)Nc3cc[nH]c3)c2)c1
InChIInChI=1S/C18H16N4O2/c19-14-5-2-6-15(10-14)21-17(23)12-3-1-4-13(9-12)18(24)22-16-7-8-20-11-16/h1-11,20H,19H2,(H,21,23)(H,22,24)
InChIKeyKMEWUOOSNKBGJM-UHFFFAOYSA-N
XLogP3.10
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide
CID 115160837
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
N-(3-aminophenyl)pyrimidine-5-carboxamide
CID 102921225
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110691166
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide (CID 71483953) is 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide is Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cc[nH]c3)c2)c1.
What is the InChIKey of 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide?
The InChIKey is KMEWUOOSNKBGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-14-5-2-6-15(10-14)21-17(23)12-3-1-4-13(9-12)18(24)22-16-7-8-20-11-16/h1-11,20H,19H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide?
1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 71483953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).