3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide

C20H20N2O4 — CID 4689852

IUPAC3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-n2cccc2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-17-12-14(13-18(25-2)19(17)26-3)20(23)21-15-8-4-5-9-16(15)22-10-6-7-11-22/h4-13H,1-3H3,(H,21,23)
InChIKeyMBKXMSHNLBLOPP-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.76
Rot. Bonds6

About 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide

3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide (PubChem CID 4689852) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
PubChem CID4689852
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-n2cccc2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-17-12-14(13-18(25-2)19(17)26-3)20(23)21-15-8-4-5-9-16(15)22-10-6-7-11-22/h4-13H,1-3H3,(H,21,23)
InChIKeyMBKXMSHNLBLOPP-UHFFFAOYSA-N
XLogP3.76
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
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3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
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CID 4578304

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide (CID 4689852) is 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2-n2cccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide?
The InChIKey is MBKXMSHNLBLOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-17-12-14(13-18(25-2)19(17)26-3)20(23)21-15-8-4-5-9-16(15)22-10-6-7-11-22/h4-13H,1-3H3,(H,21,23).
What are the key properties of 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide?
3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide is sourced from PubChem (CID 4689852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).