N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide

C17H16ClN3O — CID 2684093

IUPACN-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1
InChIInChI=1S/C17H16ClN3O/c1-12(13-5-3-2-4-6-13)20-11-17(22)21-16-9-15(18)8-7-14(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyYFRQHTWPHUUJGS-LBPRGKRZSA-N
MW313.79 g/mol
LogP3.50
Rot. Bonds5

About N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide

N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide (PubChem CID 2684093) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
PubChem CID2684093
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1
InChIInChI=1S/C17H16ClN3O/c1-12(13-5-3-2-4-6-13)20-11-17(22)21-16-9-15(18)8-7-14(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyYFRQHTWPHUUJGS-LBPRGKRZSA-N
XLogP3.50
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131592
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253982
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661
N-(5-chloro-2-nitrophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336439
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331654
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105872

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide (CID 2684093) is N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide is C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The InChIKey is YFRQHTWPHUUJGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12(13-5-3-2-4-6-13)20-11-17(22)21-16-9-15(18)8-7-14(16)10-19/h2-9,12,20H,11H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide has a molecular weight of 313.79 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 2684093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).