3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

C17H18F2N2O2 — CID 110906159

IUPAC3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(NCc2cc(F)ccc2F)cccc1C(=O)NCCO
InChIInChI=1S/C17H18F2N2O2/c1-11-14(17(23)20-7-8-22)3-2-4-16(11)21-10-12-9-13(18)5-6-15(12)19/h2-6,9,21-22H,7-8,10H2,1H3,(H,20,23)
InChIKeyBCNGWRVMPOEJEL-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.61
Rot. Bonds6

About 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 110906159) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID110906159
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(NCc2cc(F)ccc2F)cccc1C(=O)NCCO
InChIInChI=1S/C17H18F2N2O2/c1-11-14(17(23)20-7-8-22)3-2-4-16(11)21-10-12-9-13(18)5-6-15(12)19/h2-6,9,21-22H,7-8,10H2,1H3,(H,20,23)
InChIKeyBCNGWRVMPOEJEL-UHFFFAOYSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906218
3-[(3-chloro-4-fluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480054
3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906161
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480053
3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71913623
ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312815
N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide
CID 110018799
methyl 2-amino-3-[(2,5-difluorophenyl)methylamino]benzoate
CID 115546176
methyl 3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylbenzoate
CID 62134920
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
CID 111778028
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906152

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (CID 110906159) is 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1c(NCc2cc(F)ccc2F)cccc1C(=O)NCCO.
What is the InChIKey of 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is BCNGWRVMPOEJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11-14(17(23)20-7-8-22)3-2-4-16(11)21-10-12-9-13(18)5-6-15(12)19/h2-6,9,21-22H,7-8,10H2,1H3,(H,20,23).
What are the key properties of 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 320.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 110906159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).