4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide

C15H15BrF2N2O — CID 63793142

IUPAC4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C15H15BrF2N2O/c1-2-5-20-9-11(16)7-14(20)15(21)19-8-10-6-12(17)3-4-13(10)18/h3-4,6-7,9H,2,5,8H2,1H3,(H,19,21)
InChIKeyRXCWKYIPFBTXFE-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.87
Rot. Bonds5

About 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide

4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 63793142) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID63793142
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC Name4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C15H15BrF2N2O/c1-2-5-20-9-11(16)7-14(20)15(21)19-8-10-6-12(17)3-4-13(10)18/h3-4,6-7,9H,2,5,8H2,1H3,(H,19,21)
InChIKeyRXCWKYIPFBTXFE-UHFFFAOYSA-N
XLogP3.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 64694880
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 63793724
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
4-bromo-N-[(1-methylpyrrol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114186333
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 54934711
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide (CID 63793142) is 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is RXCWKYIPFBTXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-2-5-20-9-11(16)7-14(20)15(21)19-8-10-6-12(17)3-4-13(10)18/h3-4,6-7,9H,2,5,8H2,1H3,(H,19,21).
What are the key properties of 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide?
4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 357.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 63793142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).