2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide

C21H22N2O3 — CID 56725038

IUPAC2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(-n3cccc3)cc2)c1OC
InChIInChI=1S/C21H22N2O3/c1-15(16-9-11-17(12-10-16)23-13-4-5-14-23)22-21(24)18-7-6-8-19(25-2)20(18)26-3/h4-15H,1-3H3,(H,22,24)
InChIKeyFDUSKUWZMDEVLS-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.99
Rot. Bonds6

About 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide

2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide (PubChem CID 56725038) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
PubChem CID56725038
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(-n3cccc3)cc2)c1OC
InChIInChI=1S/C21H22N2O3/c1-15(16-9-11-17(12-10-16)23-13-4-5-14-23)22-21(24)18-7-6-8-19(25-2)20(18)26-3/h4-15H,1-3H3,(H,22,24)
InChIKeyFDUSKUWZMDEVLS-UHFFFAOYSA-N
XLogP3.99
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187767
3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide (CID 56725038) is 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide is COc1cccc(C(=O)NC(C)c2ccc(-n3cccc3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide?
The InChIKey is FDUSKUWZMDEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(16-9-11-17(12-10-16)23-13-4-5-14-23)22-21(24)18-7-6-8-19(25-2)20(18)26-3/h4-15H,1-3H3,(H,22,24).
What are the key properties of 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide?
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 56725038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).