cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

C15H18Cl2N2O2 — CID 97076000

IUPACcis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C15H18Cl2N2O2/c1-15(2,14(18)21)7-19-13(20)11-6-10(11)9-4-3-8(16)5-12(9)17/h3-5,10-11H,6-7H2,1-2H3,(H2,18,21)(H,19,20)/t10-,11-/m1/s1
InChIKeyIHDXIJBFPCOIMA-GHMZBOCLSA-N
MW329.23 g/mol
LogP2.72
Rot. Bonds5

About cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 97076000) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID97076000
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Namecis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C15H18Cl2N2O2/c1-15(2,14(18)21)7-19-13(20)11-6-10(11)9-4-3-8(16)5-12(9)17/h3-5,10-11H,6-7H2,1-2H3,(H2,18,21)(H,19,20)/t10-,11-/m1/s1
InChIKeyIHDXIJBFPCOIMA-GHMZBOCLSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 95621010
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119429856
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 97211308
N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119613149
cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 97211305
N-(2-amino-2-methylpropyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119626280
2-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119555338
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246486
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 78837230
trans-(1S,2S)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 99791149

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 97076000) is cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(N)=O.
What is the InChIKey of cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is IHDXIJBFPCOIMA-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-15(2,14(18)21)7-19-13(20)11-6-10(11)9-4-3-8(16)5-12(9)17/h3-5,10-11H,6-7H2,1-2H3,(H2,18,21)(H,19,20)/t10-,11-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97076000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).