3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C17H17F2NO2 — CID 9262765

IUPAC3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H17F2NO2/c1-10-4-5-16(22-3)15(6-10)11(2)20-17(21)12-7-13(18)9-14(19)8-12/h4-9,11H,1-3H3,(H,20,21)/t11-/m0/s1
InChIKeyWYVZPQXXKFXRLB-NSHDSACASA-N
MW305.32 g/mol
LogP3.77
Rot. Bonds4

About 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 9262765) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID9262765
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H17F2NO2/c1-10-4-5-16(22-3)15(6-10)11(2)20-17(21)12-7-13(18)9-14(19)8-12/h4-9,11H,1-3H3,(H,20,21)/t11-/m0/s1
InChIKeyWYVZPQXXKFXRLB-NSHDSACASA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212285
5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78948546
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 9262765) is 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is WYVZPQXXKFXRLB-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-10-4-5-16(22-3)15(6-10)11(2)20-17(21)12-7-13(18)9-14(19)8-12/h4-9,11H,1-3H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 305.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 9262765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).