3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide

C19H18N2O3 — CID 110726291

IUPAC3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(-n3cccc3)c2)c1
InChIInChI=1S/C19H18N2O3/c1-23-17-10-14(11-18(13-17)24-2)19(22)20-15-6-5-7-16(12-15)21-8-3-4-9-21/h3-13H,1-2H3,(H,20,22)
InChIKeyKJYYTQXZWHIODG-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.75
Rot. Bonds5

About 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide

3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide (PubChem CID 110726291) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
PubChem CID110726291
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(-n3cccc3)c2)c1
InChIInChI=1S/C19H18N2O3/c1-23-17-10-14(11-18(13-17)24-2)19(22)20-15-6-5-7-16(12-15)21-8-3-4-9-21/h3-13H,1-2H3,(H,20,22)
InChIKeyKJYYTQXZWHIODG-UHFFFAOYSA-N
XLogP3.75
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
N-(4-methoxyphenyl)-2-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]sulfanylacetamide
CID 55979719
1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
CID 110471452
(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide
CID 95287186
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,5-dimethoxybenzamide
CID 108922675
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326
methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 34160976
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide (CID 110726291) is 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide is COc1cc(OC)cc(C(=O)Nc2cccc(-n3cccc3)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide?
The InChIKey is KJYYTQXZWHIODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-17-10-14(11-18(13-17)24-2)19(22)20-15-6-5-7-16(12-15)21-8-3-4-9-21/h3-13H,1-2H3,(H,20,22).
What are the key properties of 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide?
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide has a molecular weight of 322.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide is sourced from PubChem (CID 110726291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).