3-(3,4-dichloroanilino)-N,N-dipropylpropanamide

C15H22Cl2N2O — CID 109033088

IUPAC3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-3-9-19(10-4-2)15(20)7-8-18-12-5-6-13(16)14(17)11-12/h5-6,11,18H,3-4,7-10H2,1-2H3
InChIKeyORFQEOVVUGDOLC-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.44
Rot. Bonds8

About 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide

3-(3,4-dichloroanilino)-N,N-dipropylpropanamide (PubChem CID 109033088) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
PubChem CID109033088
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-3-9-19(10-4-2)15(20)7-8-18-12-5-6-13(16)14(17)11-12/h5-6,11,18H,3-4,7-10H2,1-2H3
InChIKeyORFQEOVVUGDOLC-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
CID 109033102
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
methyl 3-[[3-(dipropylamino)-3-oxopropyl]amino]benzoate
CID 109033062
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
tert-butyl 3-(3,4-dichloroanilino)propanoate
CID 66783246
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
CID 61008817
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
CID 54805609
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
CID 56540193
3-(3,4-diaminoanilino)-N,N-diethylpropanamide
CID 106751126

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide (CID 109033088) is 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide?
The InChIKey is ORFQEOVVUGDOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-3-9-19(10-4-2)15(20)7-8-18-12-5-6-13(16)14(17)11-12/h5-6,11,18H,3-4,7-10H2,1-2H3.
What are the key properties of 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide?
3-(3,4-dichloroanilino)-N,N-dipropylpropanamide has a molecular weight of 317.26 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 109033088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).