2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide

C14H19ClN2O — CID 81354638

IUPAC2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
SMILESC[C@H](NC(=O)C(C)(N)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-9(10-3-7-12(15)8-4-10)17-13(18)14(2,16)11-5-6-11/h3-4,7-9,11H,5-6,16H2,1-2H3,(H,17,18)/t9-,14?/m0/s1
InChIKeyKEQQMLQPUBOPLS-CUVJYRNJSA-N
MW266.77 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide

2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide (PubChem CID 81354638) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
PubChem CID81354638
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
SMILESC[C@H](NC(=O)C(C)(N)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-9(10-3-7-12(15)8-4-10)17-13(18)14(2,16)11-5-6-11/h3-4,7-9,11H,5-6,16H2,1-2H3,(H,17,18)/t9-,14?/m0/s1
InChIKeyKEQQMLQPUBOPLS-CUVJYRNJSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide
CID 60866617
2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248453
2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 60866125
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
CID 54925184
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
CID 81376410
2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
CID 60866090
2-amino-2-cyclopropyl-N-[1-(furan-2-yl)ethyl]propanamide
CID 60866793
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
CID 61161130
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide (CID 81354638) is 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide is C[C@H](NC(=O)C(C)(N)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide?
The InChIKey is KEQQMLQPUBOPLS-CUVJYRNJSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(10-3-7-12(15)8-4-10)17-13(18)14(2,16)11-5-6-11/h3-4,7-9,11H,5-6,16H2,1-2H3,(H,17,18)/t9-,14?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide?
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide has a molecular weight of 266.77 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 81354638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).