N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide

C22H28FNO4 — CID 55751531

IUPACN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C22H28FNO4/c1-22(2,3)13-17(14-7-9-16(23)10-8-14)24-21(25)15-11-18(26-4)20(28-6)19(12-15)27-5/h7-12,17H,13H2,1-6H3,(H,24,25)
InChIKeyNNRXZSVBDFDGSN-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.76
Rot. Bonds7

About N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide (PubChem CID 55751531) has the molecular formula C22H28FNO4 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide
PubChem CID55751531
Molecular FormulaC22H28FNO4
Molecular Weight389.47 g/mol
Exact Mass389.20
IUPAC NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C22H28FNO4/c1-22(2,3)13-17(14-7-9-16(23)10-8-14)24-21(25)15-11-18(26-4)20(28-6)19(12-15)27-5/h7-12,17H,13H2,1-6H3,(H,24,25)
InChIKeyNNRXZSVBDFDGSN-UHFFFAOYSA-N
XLogP4.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 7291138
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78882328
3-(4-propoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 4182201
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 55583447
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
(4S)-5-[[(2R)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxo-4-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 11421043
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide (CID 55751531) is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide?
The InChIKey is NNRXZSVBDFDGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO4/c1-22(2,3)13-17(14-7-9-16(23)10-8-14)24-21(25)15-11-18(26-4)20(28-6)19(12-15)27-5/h7-12,17H,13H2,1-6H3,(H,24,25).
What are the key properties of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide?
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide has a molecular weight of 389.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 55751531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).