N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C12H14Cl2N2O — CID 119382396

IUPACN-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNCCNC(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-8-3-7(4-9(14)5-8)10-6-11(10)12(17)16-2-1-15/h3-5,10-11H,1-2,6,15H2,(H,16,17)
InChIKeyXVYHGKPTISAXGF-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.17
Rot. Bonds4

About N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 119382396) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID119382396
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNCCNC(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-8-3-7(4-9(14)5-8)10-6-11(10)12(17)16-2-1-15/h3-5,10-11H,1-2,6,15H2,(H,16,17)
InChIKeyXVYHGKPTISAXGF-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119626280
N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 119479658
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564729
trans-(1S,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564727
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564726
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
2-chloro-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone;methane
CID 158411991
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 124711462
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 119382396) is N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is NCCNC(=O)C1CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XVYHGKPTISAXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-8-3-7(4-9(14)5-8)10-6-11(10)12(17)16-2-1-15/h3-5,10-11H,1-2,6,15H2,(H,16,17).
What are the key properties of N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119382396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).