2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide

C14H19BrN2O2 — CID 113177979

IUPAC2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)c1ccc(C)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-4-7-16-14(19)9-17(11(3)18)13-6-5-10(2)8-12(13)15/h5-6,8H,4,7,9H2,1-3H3,(H,16,19)
InChIKeyJZADAOZCMDOSHC-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.64
Rot. Bonds5

About 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide

2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide (PubChem CID 113177979) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide
PubChem CID113177979
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)c1ccc(C)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-4-7-16-14(19)9-17(11(3)18)13-6-5-10(2)8-12(13)15/h5-6,8H,4,7,9H2,1-3H3,(H,16,19)
InChIKeyJZADAOZCMDOSHC-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113178005
2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
CID 113178016
2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178033
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113178011
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
CID 113168044
3-(2-bromo-4-methylanilino)-N-propylpropanamide
CID 109011445
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide?
The IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide (CID 113177979) is 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide?
The canonical SMILES for 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide is CCCNC(=O)CN(C(C)=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide?
The InChIKey is JZADAOZCMDOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-4-7-16-14(19)9-17(11(3)18)13-6-5-10(2)8-12(13)15/h5-6,8H,4,7,9H2,1-3H3,(H,16,19).
What are the key properties of 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide?
2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide is sourced from PubChem (CID 113177979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).