N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide

C23H21FN2O4 — CID 151835909

IUPACN-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C23H21FN2O4/c1-25(2)22(29)16-5-9-18(10-6-16)26(14-15-3-7-17(24)8-4-15)23(30)20-12-11-19(27)13-21(20)28/h3-13,27-28H,14H2,1-2H3
InChIKeySFQMDVJNIAAAJA-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.79
Rot. Bonds5

About N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide

N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide (PubChem CID 151835909) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide
PubChem CID151835909
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C23H21FN2O4/c1-25(2)22(29)16-5-9-18(10-6-16)26(14-15-3-7-17(24)8-4-15)23(30)20-12-11-19(27)13-21(20)28/h3-13,27-28H,14H2,1-2H3
InChIKeySFQMDVJNIAAAJA-UHFFFAOYSA-N
XLogP3.79
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methanone, (2,4-dihydroxyphenyl)[4-(dimethylamino)phenyl]-
CID 825840
2-fluoro-N-(2-hydroxybenzyl)-N-(4-methylphenyl)benzamide
CID 835182
1-(2,4-Dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 7162004
(2E)-1-(2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 5815007
2,4-dihydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 67932020
(2,4-dihydroxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117967655
(2,4-dihydroxyphenyl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967696
(2,4-dihydroxyphenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117968039
N-benzyl-2,4-dihydroxy-N-phenylbenzamide
CID 117972616
N-benzyl-N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxybenzamide
CID 117972799
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 151777753
N-[4-(diethylamino)benzoyl]-2-hydroxy-benzamide
CID 57386026

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide (CID 151835909) is N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide is CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide?
The InChIKey is SFQMDVJNIAAAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-25(2)22(29)16-5-9-18(10-6-16)26(14-15-3-7-17(24)8-4-15)23(30)20-12-11-19(27)13-21(20)28/h3-13,27-28H,14H2,1-2H3.
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide?
N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide has a molecular weight of 408.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 151835909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).