2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide

C12H14BrClN2O2 — CID 47445030

IUPAC2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(C)CC(=O)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClN2O2/c1-8(17)16(2)7-12(18)15-6-9-3-4-10(13)5-11(9)14/h3-5H,6-7H2,1-2H3,(H,15,18)
InChIKeyGSHXAVWYFJSZGO-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.20
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide

2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide (PubChem CID 47445030) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide
PubChem CID47445030
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(C)CC(=O)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClN2O2/c1-8(17)16(2)7-12(18)15-6-9-3-4-10(13)5-11(9)14/h3-5H,6-7H2,1-2H3,(H,15,18)
InChIKeyGSHXAVWYFJSZGO-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-(o-chlorobenzyl)-2-(diethylamino)-, monohydrochloride
CID 121061
N-[2-[(4-bromo-2-chlorophenyl)methylcarbamoylamino]ethyl]acetamide
CID 47447383
3-acetamido-N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 51094514
3-[(4-bromo-2-chlorophenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 51126771
N~1~-(2-chlorobenzyl)-N~2~-isopropylethanediamide
CID 2286965
N-[(4-bromo-2-chlorophenyl)methyl]acetamide
CID 47444975
N-allyl-N'-(2-chlorobenzyl)ethanediamide
CID 2291386
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
N1-(2-chlorobenzyl)-N2-methyloxalamide
CID 40805406
N-[(4-bromo-2-chlorophenyl)methyl]-3,3,3-trifluoropropanamide
CID 67239728
N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide
CID 118212260
N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide
CID 166131118

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide (CID 47445030) is 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide is CC(=O)N(C)CC(=O)NCc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide?
The InChIKey is GSHXAVWYFJSZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-8(17)16(2)7-12(18)15-6-9-3-4-10(13)5-11(9)14/h3-5H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide?
2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide has a molecular weight of 333.61 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 47445030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).