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

C17H18F2N2O2 — CID 109022256

IUPACN-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccccc1CNCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O2/c1-23-16-5-3-2-4-12(16)11-20-9-8-17(22)21-13-6-7-14(18)15(19)10-13/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyNQCWJHXGTOCGQK-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.09
Rot. Bonds7

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

N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide (PubChem CID 109022256) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
PubChem CID109022256
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccccc1CNCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O2/c1-23-16-5-3-2-4-12(16)11-20-9-8-17(22)21-13-6-7-14(18)15(19)10-13/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyNQCWJHXGTOCGQK-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022229
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230
ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
CID 109022233
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 113163017
N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022224
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide
CID 141022551
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide (CID 109022256) is N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide is COc1ccccc1CNCCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide?
The InChIKey is NQCWJHXGTOCGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-23-16-5-3-2-4-12(16)11-20-9-8-17(22)21-13-6-7-14(18)15(19)10-13/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide?
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide has a molecular weight of 320.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).