4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide

C14H16BrN3O — CID 43601282

IUPAC4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(Br)c[nH]2)c1
InChIInChI=1S/C14H16BrN3O/c1-2-16-8-10-4-3-5-12(6-10)18-14(19)13-7-11(15)9-17-13/h3-7,9,16-17H,2,8H2,1H3,(H,18,19)
InChIKeyUJRZEAKECUGEIG-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.14
Rot. Bonds5

About 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 43601282) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID43601282
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(Br)c[nH]2)c1
InChIInChI=1S/C14H16BrN3O/c1-2-16-8-10-4-3-5-12(6-10)18-14(19)13-7-11(15)9-17-13/h3-7,9,16-17H,2,8H2,1H3,(H,18,19)
InChIKeyUJRZEAKECUGEIG-UHFFFAOYSA-N
XLogP3.14
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51128969
4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933897
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119438297
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
tert-butyl N-[[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55850427
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43410595
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 43601282) is 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide is CCNCc1cccc(NC(=O)c2cc(Br)c[nH]2)c1.
What is the InChIKey of 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UJRZEAKECUGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-16-8-10-4-3-5-12(6-10)18-14(19)13-7-11(15)9-17-13/h3-7,9,16-17H,2,8H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43601282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).