4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide

C16H19BrN2O2 — CID 60954823

IUPAC4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H19BrN2O2/c1-4-19-11-13(17)9-15(19)16(20)18(2)10-12-6-5-7-14(8-12)21-3/h5-9,11H,4,10H2,1-3H3
InChIKeyLKBALFWDGSQMHD-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.55
Rot. Bonds5

About 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide

4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (PubChem CID 60954823) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
PubChem CID60954823
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H19BrN2O2/c1-4-19-11-13(17)9-15(19)16(20)18(2)10-12-6-5-7-14(8-12)21-3/h5-9,11H,4,10H2,1-3H3
InChIKeyLKBALFWDGSQMHD-UHFFFAOYSA-N
XLogP3.55
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61116342
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60954367
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
N-[(4-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415216
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60955721
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60960132
4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 54877540
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (CID 60954823) is 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is LKBALFWDGSQMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-19-11-13(17)9-15(19)16(20)18(2)10-12-6-5-7-14(8-12)21-3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60954823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).