3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide

C14H18Cl2N2O2 — CID 109015968

IUPAC3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCNc1cc(Cl)ccc1Cl)NCC1CCCO1
InChIInChI=1S/C14H18Cl2N2O2/c15-10-3-4-12(16)13(8-10)17-6-5-14(19)18-9-11-2-1-7-20-11/h3-4,8,11,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyMHZQNEYWUCWYKG-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.09
Rot. Bonds6

About 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 109015968) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID109015968
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCNc1cc(Cl)ccc1Cl)NCC1CCCO1
InChIInChI=1S/C14H18Cl2N2O2/c15-10-3-4-12(16)13(8-10)17-6-5-14(19)18-9-11-2-1-7-20-11/h3-4,8,11,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyMHZQNEYWUCWYKG-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015906
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 109015962
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 108994371
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015955
3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015978
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 109015968) is 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCNc1cc(Cl)ccc1Cl)NCC1CCCO1.
What is the InChIKey of 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MHZQNEYWUCWYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-10-3-4-12(16)13(8-10)17-6-5-14(19)18-9-11-2-1-7-20-11/h3-4,8,11,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 317.22 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 109015968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).