2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide

C18H18ClN3O — CID 9043932

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O/c1-13(15-4-6-16(19)7-5-15)21-12-18(23)22-17-8-2-14(3-9-17)10-11-20/h2-9,13,21H,10,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyJBDABMGDJOOPHG-ZDUSSCGKSA-N
MW327.82 g/mol
LogP3.70
Rot. Bonds6

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 9043932) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID9043932
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O/c1-13(15-4-6-16(19)7-5-15)21-12-18(23)22-17-8-2-14(3-9-17)10-11-20/h2-9,13,21H,10,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyJBDABMGDJOOPHG-ZDUSSCGKSA-N
XLogP3.70
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043636
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9335414
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 7603938
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide (CID 9043932) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide is C[C@H](NCC(=O)Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is JBDABMGDJOOPHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-13(15-4-6-16(19)7-5-15)21-12-18(23)22-17-8-2-14(3-9-17)10-11-20/h2-9,13,21H,10,12H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 327.82 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 9043932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).