4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

C19H22ClNO2 — CID 2671659

IUPAC4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C19H22ClNO2/c1-14-5-7-16(8-6-14)13-21-19(22)4-3-11-23-17-9-10-18(20)15(2)12-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,22)
InChIKeyWWTJXXPTZJEZEO-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.43
Rot. Bonds7

About 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 2671659) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID2671659
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C19H22ClNO2/c1-14-5-7-16(8-6-14)13-21-19(22)4-3-11-23-17-9-10-18(20)15(2)12-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,22)
InChIKeyWWTJXXPTZJEZEO-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 2477739
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825763
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
methyl 4-[[4-(4-methylphenoxy)butanoylamino]methyl]benzoate
CID 38016515
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 43003033
2-(4-chloro-3-methylphenoxy)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108761245
N-[(2S)-1-aminopropan-2-yl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 120507285
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide (CID 2671659) is 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is WWTJXXPTZJEZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-5-7-16(8-6-14)13-21-19(22)4-3-11-23-17-9-10-18(20)15(2)12-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 331.84 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 2671659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).