(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide

C16H13ClN2O2 — CID 894651

IUPAC(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H13ClN2O2/c1-11(21-14-7-4-6-13(17)9-14)16(20)19-15-8-3-2-5-12(15)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1
InChIKeyILMHLFHTIBJPSP-NSHDSACASA-N
MW300.75 g/mol
LogP3.62
Rot. Bonds4

About (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide (PubChem CID 894651) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
PubChem CID894651
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H13ClN2O2/c1-11(21-14-7-4-6-13(17)9-14)16(20)19-15-8-3-2-5-12(15)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1
InChIKeyILMHLFHTIBJPSP-NSHDSACASA-N
XLogP3.62
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 7613626
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9253400
N-benzyl-3-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9253397
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide (CID 894651) is (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide?
The InChIKey is ILMHLFHTIBJPSP-NSHDSACASA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-11(21-14-7-4-6-13(17)9-14)16(20)19-15-8-3-2-5-12(15)10-18/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide has a molecular weight of 300.75 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 894651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).