2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C17H22Cl2N2O2 — CID 60504402

IUPAC2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)c(Cl)c1)C1CC1)NCC1CCCO1
InChIInChI=1S/C17H22Cl2N2O2/c18-15-6-3-12(8-16(15)19)10-21(13-4-5-13)11-17(22)20-9-14-2-1-7-23-14/h3,6,8,13-14H,1-2,4-5,7,9-11H2,(H,20,22)
InChIKeyFHIZNJCFNQHAPL-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.25
Rot. Bonds7

About 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 60504402) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID60504402
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)c(Cl)c1)C1CC1)NCC1CCCO1
InChIInChI=1S/C17H22Cl2N2O2/c18-15-6-3-12(8-16(15)19)10-21(13-4-5-13)11-17(22)20-9-14-2-1-7-23-14/h3,6,8,13-14H,1-2,4-5,7,9-11H2,(H,20,22)
InChIKeyFHIZNJCFNQHAPL-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 5037608
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1266008
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 126210808
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3,4-dichlorobenzoate
CID 7864832
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129421269
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 43005959
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51934800
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1327879
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 111753851
N'-(3,4-dichlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanediamide
CID 3210829

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 60504402) is 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(Cc1ccc(Cl)c(Cl)c1)C1CC1)NCC1CCCO1.
What is the InChIKey of 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FHIZNJCFNQHAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c18-15-6-3-12(8-16(15)19)10-21(13-4-5-13)11-17(22)20-9-14-2-1-7-23-14/h3,6,8,13-14H,1-2,4-5,7,9-11H2,(H,20,22).
What are the key properties of 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 357.28 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 60504402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).