N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide

C13H17ClN2O — CID 81372786

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
SMILESC[C@H](NC(=O)CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16-13(17)8-15-12-5-6-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyZYCOGEYFBAYNIP-VIFPVBQESA-N
MW252.75 g/mol
LogP2.27
Rot. Bonds5

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide (PubChem CID 81372786) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
PubChem CID81372786
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
SMILESC[C@H](NC(=O)CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16-13(17)8-15-12-5-6-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyZYCOGEYFBAYNIP-VIFPVBQESA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373008
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
2-(4-aminopiperidin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371581
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylacetamide
CID 94090708
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide (CID 81372786) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide is C[C@H](NC(=O)CNC1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide?
The InChIKey is ZYCOGEYFBAYNIP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16-13(17)8-15-12-5-6-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide has a molecular weight of 252.75 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 81372786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).