N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide

C14H19BrN2O2 — CID 27800739

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-3-4-9-14(19)17(2)10-13(18)16-12-8-6-5-7-11(12)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyQSDTUONUIYTOGN-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide (PubChem CID 27800739) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
PubChem CID27800739
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-3-4-9-14(19)17(2)10-13(18)16-12-8-6-5-7-11(12)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyQSDTUONUIYTOGN-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide
CID 108952078
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)butanamide
CID 732405
4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbutanamide
CID 24982993
2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
CID 113166810
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8503043
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide (CID 27800739) is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide is CCCCC(=O)N(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide?
The InChIKey is QSDTUONUIYTOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-4-9-14(19)17(2)10-13(18)16-12-8-6-5-7-11(12)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide has a molecular weight of 327.22 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide is sourced from PubChem (CID 27800739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).