4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide

C14H14Br2N2O — CID 47210992

IUPAC4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H14Br2N2O/c1-9(6-10-2-4-11(15)5-3-10)18-14(19)13-7-12(16)8-17-13/h2-5,7-9,17H,6H2,1H3,(H,18,19)
InChIKeyDBYBWFGQWXEATR-UHFFFAOYSA-N
MW386.09 g/mol
LogP3.90
Rot. Bonds4

About 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide

4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 47210992) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID47210992
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H14Br2N2O/c1-9(6-10-2-4-11(15)5-3-10)18-14(19)13-7-12(16)8-17-13/h2-5,7-9,17H,6H2,1H3,(H,18,19)
InChIKeyDBYBWFGQWXEATR-UHFFFAOYSA-N
XLogP3.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
(2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 29299826
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
CID 79705015
N-[1-(4-bromophenyl)propan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 63860266
4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 97247644
N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55717161
N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
CID 55716947
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
CID 100631185
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide (CID 47210992) is 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is DBYBWFGQWXEATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-9(6-10-2-4-11(15)5-3-10)18-14(19)13-7-12(16)8-17-13/h2-5,7-9,17H,6H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 386.09 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47210992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).