2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide

C16H21Cl2NO3 — CID 110003025

IUPAC2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCOCC(C)(CCO)NC(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H21Cl2NO3/c1-16(5-6-20,9-22-2)19-15(21)12-8-11(12)10-3-4-13(17)14(18)7-10/h3-4,7,11-12,20H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyXBPCIGSNFXHUPF-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.00
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide

2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 110003025) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID110003025
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC Name2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCOCC(C)(CCO)NC(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H21Cl2NO3/c1-16(5-6-20,9-22-2)19-15(21)12-8-11(12)10-3-4-13(17)14(18)7-10/h3-4,7,11-12,20H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyXBPCIGSNFXHUPF-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

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
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide
CID 110002073
2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
CID 111480579
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95242853
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221
2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119451122

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide (CID 110003025) is 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide is COCC(C)(CCO)NC(=O)C1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is XBPCIGSNFXHUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-16(5-6-20,9-22-2)19-15(21)12-8-11(12)10-3-4-13(17)14(18)7-10/h3-4,7,11-12,20H,5-6,8-9H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide?
2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 346.25 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110003025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).