N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide

C12H15BrClNO2 — CID 106184117

IUPACN-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
SMILESCOCC(CBr)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15BrClNO2/c1-17-8-11(7-13)15-12(16)6-9-3-2-4-10(14)5-9/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyZSXZWRWBWCZYQU-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.41
Rot. Bonds6

About N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide

N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide (PubChem CID 106184117) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
PubChem CID106184117
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
SMILESCOCC(CBr)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15BrClNO2/c1-17-8-11(7-13)15-12(16)6-9-3-2-4-10(14)5-9/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyZSXZWRWBWCZYQU-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-4-methoxybutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 114212001
N-(1-bromo-3-methoxypropan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106184806
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
N-(1-bromo-3-methoxypropan-2-yl)-4-chloro-2-methylbenzamide
CID 106184919
N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 106182352
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide
CID 115647113

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide (CID 106184117) is N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide is COCC(CBr)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide?
The InChIKey is ZSXZWRWBWCZYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-17-8-11(7-13)15-12(16)6-9-3-2-4-10(14)5-9/h2-5,11H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide?
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide has a molecular weight of 320.61 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 106184117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).