N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide

C16H14F3NO — CID 62615072

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H14F3NO/c1-10-2-3-15(19)14(6-10)16(21)20-5-4-11-7-12(17)9-13(18)8-11/h2-3,6-9H,4-5H2,1H3,(H,20,21)
InChIKeyOCFQITXKVUMVFI-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.38
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide

N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide (PubChem CID 62615072) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
PubChem CID62615072
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H14F3NO/c1-10-2-3-15(19)14(6-10)16(21)20-5-4-11-7-12(17)9-13(18)8-11/h2-3,6-9H,4-5H2,1H3,(H,20,21)
InChIKeyOCFQITXKVUMVFI-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 62615626
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
N-[2-(3,5-difluorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107028507
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
2-fluoro-N-[2-(3-methylphenyl)ethyl]-5-sulfanylbenzamide
CID 107028207
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide (CID 62615072) is N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCCc2cc(F)cc(F)c2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide?
The InChIKey is OCFQITXKVUMVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-10-2-3-15(19)14(6-10)16(21)20-5-4-11-7-12(17)9-13(18)8-11/h2-3,6-9H,4-5H2,1H3,(H,20,21).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide has a molecular weight of 293.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62615072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).