2-(3-chloroanilino)-N,N-dipropylacetamide

C14H21ClN2O — CID 39367463

IUPAC2-(3-chloroanilino)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-8-17(9-4-2)14(18)11-16-13-7-5-6-12(15)10-13/h5-7,10,16H,3-4,8-9,11H2,1-2H3
InChIKeyJJSOZTUHOURFQX-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.40
Rot. Bonds7

About 2-(3-chloroanilino)-N,N-dipropylacetamide

2-(3-chloroanilino)-N,N-dipropylacetamide (PubChem CID 39367463) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N,N-dipropylacetamide
PubChem CID39367463
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(3-chloroanilino)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-8-17(9-4-2)14(18)11-16-13-7-5-6-12(15)10-13/h5-7,10,16H,3-4,8-9,11H2,1-2H3
InChIKeyJJSOZTUHOURFQX-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831572
1-(3-chloroanilino)propan-2-one
CID 21364413
2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide
CID 54823859
2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
2-[1-(3-chlorophenyl)ethylamino]-N,N-dipropylacetamide
CID 112801140
propyl 2-(3-chloroanilino)acetate
CID 60835010
2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide
CID 54841399
2-[3-(piperidine-1-carbonyl)anilino]-N,N-dipropylacetamide
CID 54843676
2-(2,6-diethylanilino)-N,N-dipropylacetamide
CID 109006644
2-(4-bromoanilino)-N,N-dipropylacetamide
CID 39453454
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N,N-dipropylacetamide?
The IUPAC name of 2-(3-chloroanilino)-N,N-dipropylacetamide (CID 39367463) is 2-(3-chloroanilino)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N,N-dipropylacetamide?
The canonical SMILES for 2-(3-chloroanilino)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CNc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-N,N-dipropylacetamide?
The InChIKey is JJSOZTUHOURFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-8-17(9-4-2)14(18)11-16-13-7-5-6-12(15)10-13/h5-7,10,16H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-(3-chloroanilino)-N,N-dipropylacetamide?
2-(3-chloroanilino)-N,N-dipropylacetamide has a molecular weight of 268.79 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N,N-dipropylacetamide is sourced from PubChem (CID 39367463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).