N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide

C12H15BrClNO — CID 80666327

IUPACN-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCC(Br)CN(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO/c1-9(13)8-15(2)12(16)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyXISOMQACHXGWHV-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.12
Rot. Bonds4

About N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide

N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide (PubChem CID 80666327) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
PubChem CID80666327
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCC(Br)CN(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO/c1-9(13)8-15(2)12(16)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyXISOMQACHXGWHV-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
N-methyl-N-(2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78853378
[[2-(4-chlorophenyl)acetyl]-methylamino] acetate
CID 10847711
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide (CID 80666327) is N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide is CC(Br)CN(C)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide?
The InChIKey is XISOMQACHXGWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-9(13)8-15(2)12(16)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide?
N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide has a molecular weight of 304.62 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 80666327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).