N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide

C12H13F3N2O4 — CID 70258400

IUPACN-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)NC(=O)N(C)C)cc1O
InChIInChI=1S/C12H13F3N2O4/c1-17(2)11(20)16-10(19)6-4-8(18)9(21-3)5-7(6)12(13,14)15/h4-5,18H,1-3H3,(H,16,19,20)
InChIKeyJKMQJJHARFANFD-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.83
Rot. Bonds2

About N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide

N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide (PubChem CID 70258400) has the molecular formula C12H13F3N2O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
PubChem CID70258400
Molecular FormulaC12H13F3N2O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC NameN-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)NC(=O)N(C)C)cc1O
InChIInChI=1S/C12H13F3N2O4/c1-17(2)11(20)16-10(19)6-4-8(18)9(21-3)5-7(6)12(13,14)15/h4-5,18H,1-3H3,(H,16,19,20)
InChIKeyJKMQJJHARFANFD-UHFFFAOYSA-N
XLogP1.83
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-butylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70261119
N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70260452
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
N-[di(propan-2-yl)carbamoyl]-4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 70261926
N-[cyclohexyl(methyl)carbamoyl]-4-methoxy-2-(trifluoromethyl)benzamide
CID 143825461
methyl 4-fluoro-5-hydroxy-2-(trifluoromethyl)benzoate
CID 131318354
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
methyl 4-amino-5-methoxy-2-(trifluoromethyl)benzoate
CID 67254453
4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 143825452
1-[5-iodo-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 131379370
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568

Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide (CID 70258400) is N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)c(C(=O)NC(=O)N(C)C)cc1O.
What is the InChIKey of N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
The InChIKey is JKMQJJHARFANFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4/c1-17(2)11(20)16-10(19)6-4-8(18)9(21-3)5-7(6)12(13,14)15/h4-5,18H,1-3H3,(H,16,19,20).
What are the key properties of N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide?
N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide has a molecular weight of 306.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 70258400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).