2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide

C17H15ClN2O2 — CID 2993977

IUPAC2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(C#N)cc2)ccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11-9-15(7-8-16(11)18)22-12(2)17(21)20-14-5-3-13(10-19)4-6-14/h3-9,12H,1-2H3,(H,20,21)
InChIKeyARRPTJQKEHAOQK-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide

2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide (PubChem CID 2993977) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
PubChem CID2993977
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(C#N)cc2)ccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11-9-15(7-8-16(11)18)22-12(2)17(21)20-14-5-3-13(10-19)4-6-14/h3-9,12H,1-2H3,(H,20,21)
InChIKeyARRPTJQKEHAOQK-UHFFFAOYSA-N
XLogP3.93
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 42902010
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
CID 7670178
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide (CID 2993977) is 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccc(C#N)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide?
The InChIKey is ARRPTJQKEHAOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-9-15(7-8-16(11)18)22-12(2)17(21)20-14-5-3-13(10-19)4-6-14/h3-9,12H,1-2H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide has a molecular weight of 314.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 2993977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).