N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide

C10H11BrClNO2 — CID 164551444

IUPACN-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)c1ccccc1Br
InChIInChI=1S/C10H11BrClNO2/c11-8-4-2-1-3-7(8)9(6-14)13-10(15)5-12/h1-4,9,14H,5-6H2,(H,13,15)
InChIKeyUSMBKGRPZMJMIQ-UHFFFAOYSA-N
MW292.56 g/mol
LogP1.84
Rot. Bonds4

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

N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide (PubChem CID 164551444) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide
PubChem CID164551444
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC NameN-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)c1ccccc1Br
InChIInChI=1S/C10H11BrClNO2/c11-8-4-2-1-3-7(8)9(6-14)13-10(15)5-12/h1-4,9,14H,5-6H2,(H,13,15)
InChIKeyUSMBKGRPZMJMIQ-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 51.84
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

2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 122632451
tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
CID 151826390
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane
CID 168962930
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide
CID 118415065
2-[1-(2-bromophenyl)propylamino]ethanol
CID 115707470
N-[1-(2-bromophenyl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
CID 171590028
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81383684

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide?
The IUPAC name of N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide (CID 164551444) is N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide is O=C(CCl)NC(CO)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide?
The InChIKey is USMBKGRPZMJMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c11-8-4-2-1-3-7(8)9(6-14)13-10(15)5-12/h1-4,9,14H,5-6H2,(H,13,15).
What are the key properties of N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide?
N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide has a molecular weight of 292.56 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide is sourced from PubChem (CID 164551444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).