5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide

C16H18BrN3O3 — CID 55708868

IUPAC5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H18BrN3O3/c1-10-8-11(20(2)3)4-5-12(10)19-15(21)9-18-16(22)13-6-7-14(17)23-13/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVCGCWNJRAQVJGH-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.79
Rot. Bonds5

About 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 55708868) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide
PubChem CID55708868
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H18BrN3O3/c1-10-8-11(20(2)3)4-5-12(10)19-15(21)9-18-16(22)13-6-7-14(17)23-13/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVCGCWNJRAQVJGH-UHFFFAOYSA-N
XLogP2.79
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573753
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112809835
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27162055
5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47038570
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 60853749
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
N-[2-[3-[[acetyl(methyl)amino]methyl]anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 38583856
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9418407
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883962

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide (CID 55708868) is 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide is Cc1cc(N(C)C)ccc1NC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VCGCWNJRAQVJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-10-8-11(20(2)3)4-5-12(10)19-15(21)9-18-16(22)13-6-7-14(17)23-13/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 55708868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).