N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide

C17H18F2N2O — CID 109019409

IUPACN-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyFRZJZFJTCBNLPY-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.39
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide

N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide (PubChem CID 109019409) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
PubChem CID109019409
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyFRZJZFJTCBNLPY-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-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256
N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020973
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996573
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019394
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
3-(butylamino)-N-(3,4-difluorophenyl)propanamide
CID 109012546
N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
CID 64781649

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide (CID 109019409) is N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide is Cc1ccccc1CNCCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The InChIKey is FRZJZFJTCBNLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
N-(3,4-difluorophenyl)-3-[(2-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-[(2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).