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

C12H16Cl2N2O — CID 109011460

IUPAC3-(3,4-dichloroanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-2-6-16-12(17)5-7-15-9-3-4-10(13)11(14)8-9/h3-4,8,15H,2,5-7H2,1H3,(H,16,17)
InChIKeyLDBWNRZQPHTGFH-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.32
Rot. Bonds6

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

3-(3,4-dichloroanilino)-N-propylpropanamide (PubChem CID 109011460) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-N-propylpropanamide
PubChem CID109011460
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3-(3,4-dichloroanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-2-6-16-12(17)5-7-15-9-3-4-10(13)11(14)8-9/h3-4,8,15H,2,5-7H2,1H3,(H,16,17)
InChIKeyLDBWNRZQPHTGFH-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
3-(naphthalen-2-ylamino)-N-propylpropanamide
CID 62020504
3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024765
3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
CID 109033088
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
CID 54805609
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
CID 87029646
3-(4-amino-3-methoxyanilino)-N-propylpropanamide
CID 63676677
tert-butyl 3-(3,4-dichloroanilino)propanoate
CID 66783246

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-N-propylpropanamide?
The IUPAC name of 3-(3,4-dichloroanilino)-N-propylpropanamide (CID 109011460) is 3-(3,4-dichloroanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(3,4-dichloroanilino)-N-propylpropanamide?
The canonical SMILES for 3-(3,4-dichloroanilino)-N-propylpropanamide is CCCNC(=O)CCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichloroanilino)-N-propylpropanamide?
The InChIKey is LDBWNRZQPHTGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-6-16-12(17)5-7-15-9-3-4-10(13)11(14)8-9/h3-4,8,15H,2,5-7H2,1H3,(H,16,17).
What are the key properties of 3-(3,4-dichloroanilino)-N-propylpropanamide?
3-(3,4-dichloroanilino)-N-propylpropanamide has a molecular weight of 275.18 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-N-propylpropanamide is sourced from PubChem (CID 109011460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).