N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide

C17H18F2N2O — CID 109019740

IUPACN-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O/c1-12-3-2-4-13(9-12)11-20-8-7-17(22)21-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22)
InChIKeyNAISLEWEZWZDTE-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.39
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide

N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019740) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019740
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O/c1-12-3-2-4-13(9-12)11-20-8-7-17(22)21-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22)
InChIKeyNAISLEWEZWZDTE-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.39
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-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide
CID 46575169
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
3-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-difluorophenyl)propanamide
CID 109022867
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide (CID 109019740) is N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide is Cc1cccc(CNCCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is NAISLEWEZWZDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-12-3-2-4-13(9-12)11-20-8-7-17(22)21-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 304.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).