N,N-diethyl-4-pyrrol-1-ylbenzamide

C15H18N2O — CID 60682055

IUPACN,N-diethyl-4-pyrrol-1-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O/c1-3-16(4-2)15(18)13-7-9-14(10-8-13)17-11-5-6-12-17/h5-12H,3-4H2,1-2H3
InChIKeyHFVNSOWBSJSZIQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.96
Rot. Bonds4

About N,N-diethyl-4-pyrrol-1-ylbenzamide

N,N-diethyl-4-pyrrol-1-ylbenzamide (PubChem CID 60682055) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N,N-diethyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-pyrrol-1-ylbenzamide
PubChem CID60682055
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN,N-diethyl-4-pyrrol-1-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O/c1-3-16(4-2)15(18)13-7-9-14(10-8-13)17-11-5-6-12-17/h5-12H,3-4H2,1-2H3
InChIKeyHFVNSOWBSJSZIQ-UHFFFAOYSA-N
XLogP2.96
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-pyrrol-1-ylbenzamide
CID 60682223
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
CID 78777192
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 18197217
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
ethyl 4-pyrrol-1-ylbenzoate
CID 2736468
2-[propan-2-yl-(4-pyrrol-1-ylbenzoyl)amino]acetic acid
CID 60831722
CID 174412487
CID 174412487
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
CID 95211562

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N,N-diethyl-4-pyrrol-1-ylbenzamide (CID 60682055) is N,N-diethyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N,N-diethyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N,N-diethyl-4-pyrrol-1-ylbenzamide is CCN(CC)C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N,N-diethyl-4-pyrrol-1-ylbenzamide?
The InChIKey is HFVNSOWBSJSZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-16(4-2)15(18)13-7-9-14(10-8-13)17-11-5-6-12-17/h5-12H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-pyrrol-1-ylbenzamide?
N,N-diethyl-4-pyrrol-1-ylbenzamide has a molecular weight of 242.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 60682055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).