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

C18H20Cl2N2O — CID 119813926

IUPACN-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O/c1-21-10-4-7-18(23)22-12-13-5-2-3-6-15(13)16-9-8-14(19)11-17(16)20/h2-3,5-6,8-9,11,21H,4,7,10,12H2,1H3,(H,22,23)
InChIKeySGVXUBJTJTYPIS-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.28
Rot. Bonds7

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

N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide (PubChem CID 119813926) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide
PubChem CID119813926
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O/c1-21-10-4-7-18(23)22-12-13-5-2-3-6-15(13)16-9-8-14(19)11-17(16)20/h2-3,5-6,8-9,11,21H,4,7,10,12H2,1H3,(H,22,23)
InChIKeySGVXUBJTJTYPIS-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
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-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2707328
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide
CID 119869593
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020733
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 8559595
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
CID 119777787
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide (CID 119813926) is N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide?
The InChIKey is SGVXUBJTJTYPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-21-10-4-7-18(23)22-12-13-5-2-3-6-15(13)16-9-8-14(19)11-17(16)20/h2-3,5-6,8-9,11,21H,4,7,10,12H2,1H3,(H,22,23).
What are the key properties of N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide?
N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide has a molecular weight of 351.28 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dichlorophenyl)phenyl]methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119813926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).