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

C15H18Cl2N2O2 — CID 95621010

IUPACcis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(N)=O
InChIInChI=1S/C15H18Cl2N2O2/c1-15(2,14(18)21)7-19-13(20)10-6-9(10)8-4-3-5-11(16)12(8)17/h3-5,9-10H,6-7H2,1-2H3,(H2,18,21)(H,19,20)/t9-,10-/m0/s1
InChIKeyPPZUIGHFMQUQBK-UWVGGRQHSA-N
MW329.23 g/mol
LogP2.72
Rot. Bonds5

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

cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 95621010) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID95621010
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Namecis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(N)=O
InChIInChI=1S/C15H18Cl2N2O2/c1-15(2,14(18)21)7-19-13(20)10-6-9(10)8-4-3-5-11(16)12(8)17/h3-5,9-10H,6-7H2,1-2H3,(H2,18,21)(H,19,20)/t9-,10-/m0/s1
InChIKeyPPZUIGHFMQUQBK-UWVGGRQHSA-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-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 97076000
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704676
2-(2,3-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide
CID 120650745
(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238549
N-[1-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 119565151
trans-3-(carbamoylamino)propyl (1S,2S)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
CID 95631575
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 78837230
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111661170
2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119386183
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide (CID 95621010) is cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide is CC(C)(CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(N)=O.
What is the InChIKey of cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is PPZUIGHFMQUQBK-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-15(2,14(18)21)7-19-13(20)10-6-9(10)8-4-3-5-11(16)12(8)17/h3-5,9-10H,6-7H2,1-2H3,(H2,18,21)(H,19,20)/t9-,10-/m0/s1.
What are the key properties of cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-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-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95621010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).