5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide

C13H18F2N2O2 — CID 106234184

IUPAC5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
SMILESNC(=O)CCCCNCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c14-13(15)19-11-6-4-10(5-7-11)9-17-8-2-1-3-12(16)18/h4-7,13,17H,1-3,8-9H2,(H2,16,18)
InChIKeyNCKZFYUMZGIJBP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.03
Rot. Bonds9

About 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide

5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide (PubChem CID 106234184) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide.

Molecular Properties

Compound Name5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
PubChem CID106234184
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
SMILESNC(=O)CCCCNCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c14-13(15)19-11-6-4-10(5-7-11)9-17-8-2-1-3-12(16)18/h4-7,13,17H,1-3,8-9H2,(H2,16,18)
InChIKeyNCKZFYUMZGIJBP-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.03
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

5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide?
The IUPAC name of 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide (CID 106234184) is 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide.
What is the SMILES notation for 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide?
The canonical SMILES for 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide is NC(=O)CCCCNCc1ccc(OC(F)F)cc1.
What is the InChIKey of 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide?
The InChIKey is NCKZFYUMZGIJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-13(15)19-11-6-4-10(5-7-11)9-17-8-2-1-3-12(16)18/h4-7,13,17H,1-3,8-9H2,(H2,16,18).
What are the key properties of 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide?
5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide has a molecular weight of 272.30 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide is sourced from PubChem (CID 106234184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).