N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide

C17H17F2NO3 — CID 111424679

IUPACN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H17F2NO3/c1-11-3-2-4-13(9-11)16(22)20-10-15(21)12-5-7-14(8-6-12)23-17(18)19/h2-9,15,17,21H,10H2,1H3,(H,20,22)
InChIKeyVLEJZTALFQXFAT-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.06
Rot. Bonds6

About N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide (PubChem CID 111424679) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
PubChem CID111424679
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H17F2NO3/c1-11-3-2-4-13(9-11)16(22)20-10-15(21)12-5-7-14(8-6-12)23-17(18)19/h2-9,15,17,21H,10H2,1H3,(H,20,22)
InChIKeyVLEJZTALFQXFAT-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967198
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
2-[[[3-(difluoromethoxy)benzoyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242795
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 33280716
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide (CID 111424679) is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(O)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide?
The InChIKey is VLEJZTALFQXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-11-3-2-4-13(9-11)16(22)20-10-15(21)12-5-7-14(8-6-12)23-17(18)19/h2-9,15,17,21H,10H2,1H3,(H,20,22).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide?
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide has a molecular weight of 321.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide is sourced from PubChem (CID 111424679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).