N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide

C15H21ClN2O — CID 119612723

IUPACN-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC(CN)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-15(2,11-5-7-12(16)8-6-11)14(19)18-13(9-17)10-3-4-10/h5-8,10,13H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyQGFLXXPVBCEVDE-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.47
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide

N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide (PubChem CID 119612723) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide
PubChem CID119612723
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC(CN)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-15(2,11-5-7-12(16)8-6-11)14(19)18-13(9-17)10-3-4-10/h5-8,10,13H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyQGFLXXPVBCEVDE-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.47
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-(4-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide (CID 119612723) is N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide is CC(C)(C(=O)NC(CN)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide?
The InChIKey is QGFLXXPVBCEVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-15(2,11-5-7-12(16)8-6-11)14(19)18-13(9-17)10-3-4-10/h5-8,10,13H,3-4,9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide?
N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide has a molecular weight of 280.80 g/mol, XLogP of 2.47, 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-(4-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 119612723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).