2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide

C19H19ClN2O2 — CID 132652405

IUPAC2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H19ClN2O2/c1-3-18(24-16-8-9-17(20)13(2)12-16)19(23)22-15-6-4-14(5-7-15)10-11-21/h4-9,12,18H,3,10H2,1-2H3,(H,22,23)
InChIKeyGTRXABZFZXFRIO-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.51
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide

2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide (PubChem CID 132652405) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
PubChem CID132652405
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H19ClN2O2/c1-3-18(24-16-8-9-17(20)13(2)12-16)19(23)22-15-6-4-14(5-7-15)10-11-21/h4-9,12,18H,3,10H2,1-2H3,(H,22,23)
InChIKeyGTRXABZFZXFRIO-UHFFFAOYSA-N
XLogP4.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
CID 17217156
(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
CID 92646271
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
(2R)-2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99133336
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide (CID 132652405) is 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide?
The InChIKey is GTRXABZFZXFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-3-18(24-16-8-9-17(20)13(2)12-16)19(23)22-15-6-4-14(5-7-15)10-11-21/h4-9,12,18H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide?
2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide has a molecular weight of 342.83 g/mol, XLogP of 4.51, 6 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-(cyanomethyl)phenyl]butanamide is sourced from PubChem (CID 132652405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).