N-[(4-bromophenyl)methyl]-3-hydroxypropanamide

C10H12BrNO2 — CID 115138976

IUPACN-[(4-bromophenyl)methyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c11-9-3-1-8(2-4-9)7-12-10(14)5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyIIMOIIJLFPRDHG-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.45
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-3-hydroxypropanamide

N-[(4-bromophenyl)methyl]-3-hydroxypropanamide (PubChem CID 115138976) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-hydroxypropanamide
PubChem CID115138976
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-[(4-bromophenyl)methyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c11-9-3-1-8(2-4-9)7-12-10(14)5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyIIMOIIJLFPRDHG-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
CID 107233703
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590
2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate
CID 79345643
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 124707474
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
3-hydroxy-N-(naphthalen-2-ylmethyl)propanamide
CID 115139108
2-[2-[(4-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328220

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-hydroxypropanamide (CID 115138976) is N-[(4-bromophenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-hydroxypropanamide is O=C(CCO)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-hydroxypropanamide?
The InChIKey is IIMOIIJLFPRDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-9-3-1-8(2-4-9)7-12-10(14)5-6-13/h1-4,13H,5-7H2,(H,12,14).
What are the key properties of N-[(4-bromophenyl)methyl]-3-hydroxypropanamide?
N-[(4-bromophenyl)methyl]-3-hydroxypropanamide has a molecular weight of 258.11 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 115138976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).