N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide

C14H18Cl2N2O2 — CID 109016147

IUPACN-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
SMILESO=C(CCNCC1CCCO1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-4-3-10(8-13(12)16)18-14(19)5-6-17-9-11-2-1-7-20-11/h3-4,8,11,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyLAVFXPMQUKFPGA-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.09
Rot. Bonds6

About N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide

N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide (PubChem CID 109016147) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
PubChem CID109016147
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
SMILESO=C(CCNCC1CCCO1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-4-3-10(8-13(12)16)18-14(19)5-6-17-9-11-2-1-7-20-11/h3-4,8,11,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyLAVFXPMQUKFPGA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119682918
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016092
N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943710
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
N-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016078

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide (CID 109016147) is N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide is O=C(CCNCC1CCCO1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The InChIKey is LAVFXPMQUKFPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-12-4-3-10(8-13(12)16)18-14(19)5-6-17-9-11-2-1-7-20-11/h3-4,8,11,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide?
N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)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 N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109016147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).