N-benzyl-N,1-dimethylpyrrole-2-carboxamide

C14H16N2O — CID 11064199

IUPACN-benzyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccn1C
InChIInChI=1S/C14H16N2O/c1-15-10-6-9-13(15)14(17)16(2)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyBSMGCHLGSZJBJJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.30
Rot. Bonds3

About N-benzyl-N,1-dimethylpyrrole-2-carboxamide

N-benzyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 11064199) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-benzyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID11064199
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-benzyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccn1C
InChIInChI=1S/C14H16N2O/c1-15-10-6-9-13(15)14(17)16(2)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyBSMGCHLGSZJBJJ-UHFFFAOYSA-N
XLogP2.30
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-2-acetyl pyrrole
CID 61988
1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 7802604
Bupicomide
CID 31447
Cym-5520
CID 25110470
Kdoam-25
CID 91810435
Piberaline
CID 65975
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-benzyl-N,1-dimethylpyrrole-2-carboxamide (CID 11064199) is N-benzyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-N,1-dimethylpyrrole-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cccn1C.
What is the InChIKey of N-benzyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is BSMGCHLGSZJBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15-10-6-9-13(15)14(17)16(2)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3.
What are the key properties of N-benzyl-N,1-dimethylpyrrole-2-carboxamide?
N-benzyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 11064199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).