2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide

C16H17ClN2O — CID 9330859

IUPAC2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-12(13-6-5-7-14(17)10-13)18-11-16(20)19-15-8-3-2-4-9-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyHJDOGNDUKIGFRW-LBPRGKRZSA-N
MW288.78 g/mol
LogP3.63
Rot. Bonds5

About 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide (PubChem CID 9330859) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
PubChem CID9330859
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-12(13-6-5-7-14(17)10-13)18-11-16(20)19-15-8-3-2-4-9-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyHJDOGNDUKIGFRW-LBPRGKRZSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
CID 112841756
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043636
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 9330816
N-(2-acetylphenyl)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331826
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide (CID 9330859) is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide is C[C@H](NCC(=O)Nc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide?
The InChIKey is HJDOGNDUKIGFRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12(13-6-5-7-14(17)10-13)18-11-16(20)19-15-8-3-2-4-9-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide?
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide has a molecular weight of 288.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide is sourced from PubChem (CID 9330859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).