2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide

C15H15BrN2O2 — CID 86814487

IUPAC2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide
SMILESCC(=O)N(C)CC(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H15BrN2O2/c1-10(19)18(2)9-15(20)17-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeySLUSBXDHYRCHFF-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.02
Rot. Bonds3

About 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide

2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide (PubChem CID 86814487) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide
PubChem CID86814487
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide
SMILESCC(=O)N(C)CC(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H15BrN2O2/c1-10(19)18(2)9-15(20)17-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeySLUSBXDHYRCHFF-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
CID 113384510
2-[acetyl(methyl)amino]-N-[2-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 75518245
2-amino-N-(4-bromonaphthalen-1-yl)butanamide
CID 113384503
N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
CID 115898158
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998
2-[[2-[acetyl(methyl)amino]acetyl]amino]-5-fluorobenzoic acid
CID 43359616
N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
CID 2930699
N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 55755064
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide (CID 86814487) is 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide is CC(=O)N(C)CC(=O)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide?
The InChIKey is SLUSBXDHYRCHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(19)18(2)9-15(20)17-14-8-7-13(16)11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide?
2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide has a molecular weight of 335.20 g/mol, XLogP of 3.02, 3 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-bromonaphthalen-1-yl)acetamide is sourced from PubChem (CID 86814487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).