4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C18H21BrN2O2 — CID 60506259

IUPAC4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC(C)c2cccc(Br)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C18H21BrN2O2/c1-5-15-16(12(4)22)11(3)20-17(15)18(23)21-10(2)13-7-6-8-14(19)9-13/h6-10,20H,5H2,1-4H3,(H,21,23)
InChIKeyZCYZYDJTEGMBDQ-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.34
Rot. Bonds5

About 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 60506259) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID60506259
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC(C)c2cccc(Br)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C18H21BrN2O2/c1-5-15-16(12(4)22)11(3)20-17(15)18(23)21-10(2)13-7-6-8-14(19)9-13/h6-10,20H,5H2,1-4H3,(H,21,23)
InChIKeyZCYZYDJTEGMBDQ-UHFFFAOYSA-N
XLogP4.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 94439243
4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60504904
4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60527517
4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 60511170
4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 166394329
4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide
CID 86956197
N-[1-(3-bromophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 54896629
3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254874
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
CID 81381793
methyl 3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-(4-chlorophenyl)propanoate
CID 55821974
N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 60739691
methyl 5-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 100739343

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 60506259) is 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC(C)c2cccc(Br)c2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is ZCYZYDJTEGMBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-5-15-16(12(4)22)11(3)20-17(15)18(23)21-10(2)13-7-6-8-14(19)9-13/h6-10,20H,5H2,1-4H3,(H,21,23).
What are the key properties of 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 377.28 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60506259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).