4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide

C15H17BrN2O2 — CID 51218079

IUPAC4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(Br)c[nH]1)c1ccc(OC)cc1
InChIInChI=1S/C15H17BrN2O2/c1-3-13(10-4-6-12(20-2)7-5-10)18-15(19)14-8-11(16)9-17-14/h4-9,13,17H,3H2,1-2H3,(H,18,19)
InChIKeyPJWJNXYEPYYYIV-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.67
Rot. Bonds5

About 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 51218079) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide
PubChem CID51218079
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(Br)c[nH]1)c1ccc(OC)cc1
InChIInChI=1S/C15H17BrN2O2/c1-3-13(10-4-6-12(20-2)7-5-10)18-15(19)14-8-11(16)9-17-14/h4-9,13,17H,3H2,1-2H3,(H,18,19)
InChIKeyPJWJNXYEPYYYIV-UHFFFAOYSA-N
XLogP3.67
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
methyl 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 55440281
4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
CID 46415953
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
3,5-dichloro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547698
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
4-bromo-N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 63524049
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide (CID 51218079) is 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide is CCC(NC(=O)c1cc(Br)c[nH]1)c1ccc(OC)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PJWJNXYEPYYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-3-13(10-4-6-12(20-2)7-5-10)18-15(19)14-8-11(16)9-17-14/h4-9,13,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51218079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).