4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide

C14H13BrFN3O2 — CID 60955301

IUPAC4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C14H13BrFN3O2/c1-2-19-7-8(15)5-12(19)14(21)18-9-3-4-11(16)10(6-9)13(17)20/h3-7H,2H2,1H3,(H2,17,20)(H,18,21)
InChIKeyWKWCGKOCMMVDDL-UHFFFAOYSA-N
MW354.18 g/mol
LogP2.76
Rot. Bonds4

About 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 60955301) has the molecular formula C14H13BrFN3O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID60955301
Molecular FormulaC14H13BrFN3O2
Molecular Weight354.18 g/mol
Exact Mass353.02
IUPAC Name4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C14H13BrFN3O2/c1-2-19-7-8(15)5-12(19)14(21)18-9-3-4-11(16)10(6-9)13(17)20/h3-7H,2H2,1H3,(H2,17,20)(H,18,21)
InChIKeyWKWCGKOCMMVDDL-UHFFFAOYSA-N
XLogP2.76
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide
CID 54877612
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
CID 60955535
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide
CID 103586259
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63189791
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43639581

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide (CID 60955301) is 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is WKWCGKOCMMVDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O2/c1-2-19-7-8(15)5-12(19)14(21)18-9-3-4-11(16)10(6-9)13(17)20/h3-7H,2H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 354.18 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 60955301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).