2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide

C14H17BrN2O2 — CID 113158463

IUPAC2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)cc1C)C1CC1
InChIInChI=1S/C14H17BrN2O2/c1-9-7-11(15)3-6-13(9)16-14(19)8-17(10(2)18)12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,16,19)
InChIKeySLIHZNWHEANYLS-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.71
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide

2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 113158463) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID113158463
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)cc1C)C1CC1
InChIInChI=1S/C14H17BrN2O2/c1-9-7-11(15)3-6-13(9)16-14(19)8-17(10(2)18)12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,16,19)
InChIKeySLIHZNWHEANYLS-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158975
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974436
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748
2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 113159569
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide (CID 113158463) is 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Br)cc1C)C1CC1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is SLIHZNWHEANYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-7-11(15)3-6-13(9)16-14(19)8-17(10(2)18)12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,16,19).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide?
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 325.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 113158463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).