N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

C15H18Cl2N2O — CID 119613149

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNCC(NC(=O)C1CC1c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C15H18Cl2N2O/c16-9-3-4-10(13(17)5-9)11-6-12(11)15(20)19-14(7-18)8-1-2-8/h3-5,8,11-12,14H,1-2,6-7,18H2,(H,19,20)
InChIKeyNUVBBKPNGVRGFJ-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.95
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 119613149) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID119613149
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNCC(NC(=O)C1CC1c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C15H18Cl2N2O/c16-9-3-4-10(13(17)5-9)11-6-12(11)15(20)19-14(7-18)8-1-2-8/h3-5,8,11-12,14H,1-2,6-7,18H2,(H,19,20)
InChIKeyNUVBBKPNGVRGFJ-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119590223
trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 97211308
N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 91651554
trans-(1S,2S)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 99791149
cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 97076000
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119429856
methyl (2R)-2-[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 154832535
cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 97211305
N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615310
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
CID 119213489
[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119466453

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 119613149) is N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is NCC(NC(=O)C1CC1c1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is NUVBBKPNGVRGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-9-3-4-10(13(17)5-9)11-6-12(11)15(20)19-14(7-18)8-1-2-8/h3-5,8,11-12,14H,1-2,6-7,18H2,(H,19,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 313.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119613149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).