2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide

C13H13N3O4 — CID 106385156

IUPAC2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH]c1
InChIInChI=1S/C13H13N3O4/c1-20-11-4-2-3-10(16(18)19)12(11)13(17)15-8-9-5-6-14-7-9/h2-7,14H,8H2,1H3,(H,15,17)
InChIKeyQRVYCKDAYBBXQN-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.86
Rot. Bonds5

About 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide

2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 106385156) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID106385156
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH]c1
InChIInChI=1S/C13H13N3O4/c1-20-11-4-2-3-10(16(18)19)12(11)13(17)15-8-9-5-6-14-7-9/h2-7,14H,8H2,1H3,(H,15,17)
InChIKeyQRVYCKDAYBBXQN-UHFFFAOYSA-N
XLogP1.86
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 81414361
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-6-nitrobenzamide
CID 81414526
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-6-nitrobenzamide
CID 81413714
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-6-nitrobenzamide
CID 106168769
(2S)-2-hydroxy-4-[(2-methoxy-6-nitrobenzoyl)amino]butanoic acid
CID 107834695
4,5-difluoro-2-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106384628
N-(2-hydroxy-2-methylpentyl)-2-methoxy-6-nitrobenzamide
CID 106290157
methyl 3-methoxy-5-nitro-4-(1H-pyrrol-3-ylmethylamino)benzoate
CID 156703851
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
3-bromo-4-methoxy-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114181973

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 106385156) is 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide is COc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is QRVYCKDAYBBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-20-11-4-2-3-10(16(18)19)12(11)13(17)15-8-9-5-6-14-7-9/h2-7,14H,8H2,1H3,(H,15,17).
What are the key properties of 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide?
2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide has a molecular weight of 275.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 106385156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).