3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide

C14H20Cl2N2O — CID 109031980

IUPAC3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCNc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10(2)6-8-18-13(19)7-9-17-12-5-3-4-11(15)14(12)16/h3-5,10,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyMBLMJPLXQKMZFL-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.96
Rot. Bonds7

About 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide

3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide (PubChem CID 109031980) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide
PubChem CID109031980
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCNc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10(2)6-8-18-13(19)7-9-17-12-5-3-4-11(15)14(12)16/h3-5,10,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyMBLMJPLXQKMZFL-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
CID 109027992
3-(2,3-dichloroanilino)propanamide
CID 43152512
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 109031971
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487293
2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-(2,3-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333292
N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109031931
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide (CID 109031980) is 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCNc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is MBLMJPLXQKMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-10(2)6-8-18-13(19)7-9-17-12-5-3-4-11(15)14(12)16/h3-5,10,17H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide?
3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 303.23 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 109031980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).