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

C16H17ClN2O — CID 32704244

IUPAC2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-12(14-9-5-6-10-15(14)17)18-11-16(20)19-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyITBCEXSBZWIVRV-LBPRGKRZSA-N
MW288.78 g/mol
LogP3.63
Rot. Bonds5

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

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide (PubChem CID 32704244) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
PubChem CID32704244
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-12(14-9-5-6-10-15(14)17)18-11-16(20)19-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyITBCEXSBZWIVRV-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

2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18085927
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9307115
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide (CID 32704244) is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide is C[C@H](NCC(=O)Nc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide?
The InChIKey is ITBCEXSBZWIVRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12(14-9-5-6-10-15(14)17)18-11-16(20)19-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide?
2-[[(1S)-1-(2-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-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide is sourced from PubChem (CID 32704244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).