4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide

C20H23Cl2NO2 — CID 55853083

IUPAC4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
SMILESCCOCc1ccccc1CNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2NO2/c1-2-25-14-17-8-4-3-7-16(17)13-23-20(24)9-5-6-15-10-11-18(21)19(22)12-15/h3-4,7-8,10-12H,2,5-6,9,13-14H2,1H3,(H,23,24)
InChIKeyJTOMBOSENHIBGI-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.17
Rot. Bonds9

About 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide

4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide (PubChem CID 55853083) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
PubChem CID55853083
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
SMILESCCOCc1ccccc1CNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2NO2/c1-2-25-14-17-8-4-3-7-16(17)13-23-20(24)9-5-6-15-10-11-18(21)19(22)12-15/h3-4,7-8,10-12H,2,5-6,9,13-14H2,1H3,(H,23,24)
InChIKeyJTOMBOSENHIBGI-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 63308069
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
N'-benzyl-5-(3,4-dichlorophenyl)pentanehydrazide
CID 54544701
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dichlorophenyl)butanamide
CID 55833674
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
2-[2-[(4-ethoxybutanoylamino)methyl]phenyl]acetic acid
CID 81317970
N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
CID 55822719

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide (CID 55853083) is 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide is CCOCc1ccccc1CNC(=O)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The InChIKey is JTOMBOSENHIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-2-25-14-17-8-4-3-7-16(17)13-23-20(24)9-5-6-15-10-11-18(21)19(22)12-15/h3-4,7-8,10-12H,2,5-6,9,13-14H2,1H3,(H,23,24).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide has a molecular weight of 380.32 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 55853083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).