2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide

C13H18F2N2O2 — CID 62228874

IUPAC2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-19-6-2-5-17-13(18)9-16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyNCVKXUQJDZDAJN-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.21
Rot. Bonds8

About 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide

2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 62228874) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID62228874
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-19-6-2-5-17-13(18)9-16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyNCVKXUQJDZDAJN-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.21
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

2-[(2,5-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 55234926
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 134001625
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699568
tert-butyl N-[3-[(2,4-difluorophenyl)methylamino]propyl]carbamate
CID 78942148
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide
CID 60647411
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
CID 107644367
1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethyl)thiourea
CID 113228035

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide (CID 62228874) is 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is NCVKXUQJDZDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-19-6-2-5-17-13(18)9-16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16H,2,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide?
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 272.30 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 62228874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).