1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide

C14H18BrN3O2 — CID 119684846

IUPAC1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1(N)CC1
InChIInChI=1S/C14H18BrN3O2/c1-9-7-10(15)3-4-11(9)17-12(19)8-18(2)13(20)14(16)5-6-14/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyMJLCLVQUNGUJSF-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.65
Rot. Bonds4

About 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 119684846) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID119684846
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1(N)CC1
InChIInChI=1S/C14H18BrN3O2/c1-9-7-10(15)3-4-11(9)17-12(19)8-18(2)13(20)14(16)5-6-14/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyMJLCLVQUNGUJSF-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119684871
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 27761650
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974436
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methylthiophene-2-carboxamide
CID 26678374
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
CID 119875009
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-methylacetamide
CID 8539797
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (CID 119684846) is 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is MJLCLVQUNGUJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9-7-10(15)3-4-11(9)17-12(19)8-18(2)13(20)14(16)5-6-14/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 119684846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).