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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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).