4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide

C13H12Br2N2O — CID 93317785

IUPAC4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc(Br)c[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C13H12Br2N2O/c1-8(9-2-4-10(14)5-3-9)17-13(18)12-6-11(15)7-16-12/h2-8,16H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyVNMDYFCCDATUKM-MRVPVSSYSA-N
MW372.06 g/mol
LogP4.03
Rot. Bonds3

About 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 93317785) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID93317785
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc(Br)c[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C13H12Br2N2O/c1-8(9-2-4-10(14)5-3-9)17-13(18)12-6-11(15)7-16-12/h2-8,16H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyVNMDYFCCDATUKM-MRVPVSSYSA-N
XLogP4.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 134021153
4-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 51218022
4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
CID 100631185
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 47059465
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 61117966
4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103948932
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-bromo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55932540

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 93317785) is 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide is C[C@@H](NC(=O)c1cc(Br)c[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VNMDYFCCDATUKM-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c1-8(9-2-4-10(14)5-3-9)17-13(18)12-6-11(15)7-16-12/h2-8,16H,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 372.06 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 93317785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).