N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide

C13H13BrN2O2 — CID 66397839

IUPACN-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide
SMILESO=C(Cn1ccc(CO)c1)Nc1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c14-11-3-1-2-4-12(11)15-13(18)8-16-6-5-10(7-16)9-17/h1-7,17H,8-9H2,(H,15,18)
InChIKeyUKEUQEPPXVTLLT-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.38
Rot. Bonds4

About N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide

N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide (PubChem CID 66397839) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide
PubChem CID66397839
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide
SMILESO=C(Cn1ccc(CO)c1)Nc1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c14-11-3-1-2-4-12(11)15-13(18)8-16-6-5-10(7-16)9-17/h1-7,17H,8-9H2,(H,15,18)
InChIKeyUKEUQEPPXVTLLT-UHFFFAOYSA-N
XLogP2.38
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098643
N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79109826
N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
CID 62221758
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 66408186
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370730
N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624759
N-(2-bromophenyl)butanamide
CID 732405
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide (CID 66397839) is N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide is O=C(Cn1ccc(CO)c1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide?
The InChIKey is UKEUQEPPXVTLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-11-3-1-2-4-12(11)15-13(18)8-16-6-5-10(7-16)9-17/h1-7,17H,8-9H2,(H,15,18).
What are the key properties of N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide?
N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide has a molecular weight of 309.16 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[3-(hydroxymethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66397839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).