N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide

C21H22N2O — CID 30281388

IUPACN-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C21H22N2O/c1-16-14-20(17(2)23(16)19-12-8-5-9-13-19)21(24)22(3)15-18-10-6-4-7-11-18/h4-14H,15H2,1-3H3
InChIKeyBJCLDESTRUCHHD-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.37
Rot. Bonds4

About N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide

N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 30281388) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID30281388
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C21H22N2O/c1-16-14-20(17(2)23(16)19-12-8-5-9-13-19)21(24)22(3)15-18-10-6-4-7-11-18/h4-14H,15H2,1-3H3
InChIKeyBJCLDESTRUCHHD-UHFFFAOYSA-N
XLogP4.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
1-(3-bromophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 55912571
1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 31843746
N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 60550798
N-(2-anilino-2-oxoethyl)-1-(4-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55639307
4-[3-[2-[benzyl(methyl)amino]acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
CID 40645844
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 37431923
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 37249177

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide (CID 30281388) is N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is BJCLDESTRUCHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-16-14-20(17(2)23(16)19-12-8-5-9-13-19)21(24)22(3)15-18-10-6-4-7-11-18/h4-14H,15H2,1-3H3.
What are the key properties of N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide?
N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 30281388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).