N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane

C12H17BrClNO2 — CID 168962930

IUPACN-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane
SMILESCC.O=C(CCl)NC(CO)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrClNO2.C2H6/c11-8-3-1-7(2-4-8)9(6-14)13-10(15)5-12;1-2/h1-4,9,14H,5-6H2,(H,13,15);1-2H3
InChIKeyYETHKUTUDCUUOY-UHFFFAOYSA-N
MW322.63 g/mol
LogP2.86
Rot. Bonds4

About N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane

N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane (PubChem CID 168962930) has the molecular formula C12H17BrClNO2 and a molecular weight of 322.63 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane
PubChem CID168962930
Molecular FormulaC12H17BrClNO2
Molecular Weight322.63 g/mol
Exact Mass321.01
IUPAC NameN-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane
SMILESCC.O=C(CCl)NC(CO)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrClNO2.C2H6/c11-8-3-1-7(2-4-8)9(6-14)13-10(15)5-12;1-2/h1-4,9,14H,5-6H2,(H,13,15);1-2H3
InChIKeyYETHKUTUDCUUOY-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide
CID 164551444
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide
CID 125136260
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543970
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
methyl (3S)-3-(4-bromophenyl)-3-[[2-(methylamino)acetyl]amino]propanoate
CID 124687173
2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 122632451
N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209
N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123202

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane?
The IUPAC name of N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane (CID 168962930) is N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane?
The canonical SMILES for N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane is CC.O=C(CCl)NC(CO)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane?
The InChIKey is YETHKUTUDCUUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2.C2H6/c11-8-3-1-7(2-4-8)9(6-14)13-10(15)5-12;1-2/h1-4,9,14H,5-6H2,(H,13,15);1-2H3.
What are the key properties of N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane?
N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane has a molecular weight of 322.63 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane is sourced from PubChem (CID 168962930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).