N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide

C18H19F2NO4 — CID 99619635

IUPACN-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
SMILESCOc1cc(C)c([C@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1OC
InChIInChI=1S/C18H19F2NO4/c1-9-5-15(24-3)16(25-4)8-12(9)10(2)21-18(23)17-13(20)6-11(19)7-14(17)22/h5-8,10,22H,1-4H3,(H,21,23)/t10-/m0/s1
InChIKeyNZOVFDJBDYISML-JTQLQIEISA-N
MW351.35 g/mol
LogP3.49
Rot. Bonds5

About N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide

N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide (PubChem CID 99619635) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
PubChem CID99619635
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC NameN-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
SMILESCOc1cc(C)c([C@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1OC
InChIInChI=1S/C18H19F2NO4/c1-9-5-15(24-3)16(25-4)8-12(9)10(2)21-18(23)17-13(20)6-11(19)7-14(17)22/h5-8,10,22H,1-4H3,(H,21,23)/t10-/m0/s1
InChIKeyNZOVFDJBDYISML-JTQLQIEISA-N
XLogP3.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
5-chloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 78878424
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 51956623
7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
CID 119720154
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide
CID 46474012

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide (CID 99619635) is N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide is COc1cc(C)c([C@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1OC.
What is the InChIKey of N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is NZOVFDJBDYISML-JTQLQIEISA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-9-5-15(24-3)16(25-4)8-12(9)10(2)21-18(23)17-13(20)6-11(19)7-14(17)22/h5-8,10,22H,1-4H3,(H,21,23)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide?
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 351.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 99619635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).