N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide

C17H17F2NO2 — CID 57032986

IUPACN,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)N(F)F)c1-c1ccccc1C(C)C
InChIInChI=1S/C17H17F2NO2/c1-11(2)12-7-4-5-8-13(12)16-14(17(21)20(18)19)9-6-10-15(16)22-3/h4-11H,1-3H3
InChIKeyHVAOFBUZGTZVBR-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.70
Rot. Bonds4

About N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide

N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide (PubChem CID 57032986) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound NameN,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide
PubChem CID57032986
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)N(F)F)c1-c1ccccc1C(C)C
InChIInChI=1S/C17H17F2NO2/c1-11(2)12-7-4-5-8-13(12)16-14(17(21)20(18)19)9-6-10-15(16)22-3/h4-11H,1-3H3
InChIKeyHVAOFBUZGTZVBR-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924
N,N-diethyl-3-methoxy-2-(2-methylphenyl)benzamide
CID 14174929
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
CID 10062032
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
[2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium
CID 70592726
1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone
CID 135058931
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671

Frequently Asked Questions

What is the IUPAC name of N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide (CID 57032986) is N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide is COc1cccc(C(=O)N(F)F)c1-c1ccccc1C(C)C.
What is the InChIKey of N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide?
The InChIKey is HVAOFBUZGTZVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-11(2)12-7-4-5-8-13(12)16-14(17(21)20(18)19)9-6-10-15(16)22-3/h4-11H,1-3H3.
What are the key properties of N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide?
N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide has a molecular weight of 305.32 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 57032986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).