trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide

C16H22Cl2N2O — CID 95244980

IUPACtrans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-16(2,20(3)4)9-19-15(21)12-8-11(12)10-5-6-13(17)14(18)7-10/h5-7,11-12H,8-9H2,1-4H3,(H,19,21)/t11-,12+/m0/s1
InChIKeyGUSPVNZQCIRZLJ-NWDGAFQWSA-N
MW329.27 g/mol
LogP3.55
Rot. Bonds5

About trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide (PubChem CID 95244980) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
PubChem CID95244980
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Nametrans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-16(2,20(3)4)9-19-15(21)12-8-11(12)10-5-6-13(17)14(18)7-10/h5-7,11-12H,8-9H2,1-4H3,(H,19,21)/t11-,12+/m0/s1
InChIKeyGUSPVNZQCIRZLJ-NWDGAFQWSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide 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

N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
CID 111480579
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid
CID 119199691
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 95279473
2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 110003025
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95243220
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
N-(2-amino-2-methylpropyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119626280
methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95242853

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide (CID 95244980) is trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide is CN(C)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide?
The InChIKey is GUSPVNZQCIRZLJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-16(2,20(3)4)9-19-15(21)12-8-11(12)10-5-6-13(17)14(18)7-10/h5-7,11-12H,8-9H2,1-4H3,(H,19,21)/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95244980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).