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

C14H16BrN3O — CID 61401810

IUPAC4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-2-18-9-11(16)7-13(18)14(19)17-8-10-5-3-4-6-12(10)15/h3-7,9H,2,8,16H2,1H3,(H,17,19)
InChIKeyNGURYDWRWXISKJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.78
Rot. Bonds4

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

4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide (PubChem CID 61401810) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
PubChem CID61401810
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-2-18-9-11(16)7-13(18)14(19)17-8-10-5-3-4-6-12(10)15/h3-7,9H,2,8,16H2,1H3,(H,17,19)
InChIKeyNGURYDWRWXISKJ-UHFFFAOYSA-N
XLogP2.78
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
4-amino-N-[(3-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400973
4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 63793724
4-amino-1-ethyl-N-[(3-methylphenyl)methyl]pyrrole-2-carboxamide
CID 54944283
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61113889
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425287

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide (CID 61401810) is 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCc1ccccc1Br.
What is the InChIKey of 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
The InChIKey is NGURYDWRWXISKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-18-9-11(16)7-13(18)14(19)17-8-10-5-3-4-6-12(10)15/h3-7,9H,2,8,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide?
4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 61401810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).