2-(4-bromoanilino)-N,N-dipropylacetamide

C14H21BrN2O — CID 39453454

IUPAC2-(4-bromoanilino)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyKIMDFNGLCJOJOE-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.51
Rot. Bonds7

About 2-(4-bromoanilino)-N,N-dipropylacetamide

2-(4-bromoanilino)-N,N-dipropylacetamide (PubChem CID 39453454) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N,N-dipropylacetamide
PubChem CID39453454
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(4-bromoanilino)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyKIMDFNGLCJOJOE-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
CID 109006671
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
propyl 4-[[2-(dipropylamino)-2-oxoethyl]amino]benzoate
CID 54812724
N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966874
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
2-(4-bromoanilino)acetic acid
CID 6917281
2-(2,6-diethylanilino)-N,N-dipropylacetamide
CID 109006644
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
2-anilino-N-butyl-N-(2-hydroxyethyl)acetamide
CID 54870892

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N,N-dipropylacetamide?
The IUPAC name of 2-(4-bromoanilino)-N,N-dipropylacetamide (CID 39453454) is 2-(4-bromoanilino)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-bromoanilino)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N,N-dipropylacetamide?
The InChIKey is KIMDFNGLCJOJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-bromoanilino)-N,N-dipropylacetamide?
2-(4-bromoanilino)-N,N-dipropylacetamide has a molecular weight of 313.24 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N,N-dipropylacetamide is sourced from PubChem (CID 39453454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).