N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide

C14H15BrN2O — CID 61400981

IUPACN-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O/c1-2-17-9-3-4-13(17)14(18)16-10-11-5-7-12(15)8-6-11/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyROPVAIUUPVLOHV-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.20
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide

N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide (PubChem CID 61400981) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
PubChem CID61400981
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O/c1-2-17-9-3-4-13(17)14(18)16-10-11-5-7-12(15)8-6-11/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyROPVAIUUPVLOHV-UHFFFAOYSA-N
XLogP3.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829
N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61410236
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138261
N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415884
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 62908256
4-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 43639565
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide (CID 61400981) is N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide is CCn1cccc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The InChIKey is ROPVAIUUPVLOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-17-9-3-4-13(17)14(18)16-10-11-5-7-12(15)8-6-11/h3-9H,2,10H2,1H3,(H,16,18).
What are the key properties of N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 61400981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).