7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide

C15H22F2N2O2 — CID 119764624

IUPAC7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
SMILESCc1cccc(OC(F)F)c1NC(=O)CCCCCCN
InChIInChI=1S/C15H22F2N2O2/c1-11-7-6-8-12(21-15(16)17)14(11)19-13(20)9-4-2-3-5-10-18/h6-8,15H,2-5,9-10,18H2,1H3,(H,19,20)
InChIKeyMSNHKLUECHXUTO-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.44
Rot. Bonds9

About 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide

7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide (PubChem CID 119764624) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
PubChem CID119764624
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
SMILESCc1cccc(OC(F)F)c1NC(=O)CCCCCCN
InChIInChI=1S/C15H22F2N2O2/c1-11-7-6-8-12(21-15(16)17)14(11)19-13(20)9-4-2-3-5-10-18/h6-8,15H,2-5,9-10,18H2,1H3,(H,19,20)
InChIKeyMSNHKLUECHXUTO-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.44
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

(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
CID 119325432
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide
CID 22633579
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine
CID 71074564
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175
3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
CID 119764632

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide (CID 119764624) is 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide is Cc1cccc(OC(F)F)c1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide?
The InChIKey is MSNHKLUECHXUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-11-7-6-8-12(21-15(16)17)14(11)19-13(20)9-4-2-3-5-10-18/h6-8,15H,2-5,9-10,18H2,1H3,(H,19,20).
What are the key properties of 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide?
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide has a molecular weight of 300.35 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide is sourced from PubChem (CID 119764624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).