2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide

C13H17BrN2O — CID 55137262

IUPAC2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
SMILESCc1ccc(NCC(=O)N(C)C2CC2)cc1Br
InChIInChI=1S/C13H17BrN2O/c1-9-3-4-10(7-12(9)14)15-8-13(17)16(2)11-5-6-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyASXMNOPRAZTRLV-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.79
Rot. Bonds4

About 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide

2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide (PubChem CID 55137262) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
PubChem CID55137262
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
SMILESCc1ccc(NCC(=O)N(C)C2CC2)cc1Br
InChIInChI=1S/C13H17BrN2O/c1-9-3-4-10(7-12(9)14)15-8-13(17)16(2)11-5-6-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyASXMNOPRAZTRLV-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide
CID 113355949
N-cyclopropyl-N-methyl-2-(naphthalen-2-ylamino)acetamide
CID 61488971
2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 54956732
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
N-cyclopropyl-N-methyl-2-(thiophen-3-ylamino)acetamide
CID 66350829
N-cyclopropyl-2-(3,5-dichloroanilino)-N-methylacetamide
CID 54957036
2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide
CID 65489038
propan-2-yl 2-(3-bromo-4-methylanilino)acetate
CID 63333938
N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
CID 54812377
2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
CID 54957038
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide (CID 55137262) is 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide is Cc1ccc(NCC(=O)N(C)C2CC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide?
The InChIKey is ASXMNOPRAZTRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-3-4-10(7-12(9)14)15-8-13(17)16(2)11-5-6-11/h3-4,7,11,15H,5-6,8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide?
2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide has a molecular weight of 297.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 55137262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).