N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide

C21H26FNO3 — CID 112790971

IUPACN-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)cc2)ccc1OCCC(C)C
InChIInChI=1S/C21H26FNO3/c1-15(2)11-13-26-19-9-6-17(14-20(19)25-3)21(24)23-12-10-16-4-7-18(22)8-5-16/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)
InChIKeyPMDXUAKKKRCNQJ-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.23
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide

N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 112790971) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID112790971
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)cc2)ccc1OCCC(C)C
InChIInChI=1S/C21H26FNO3/c1-15(2)11-13-26-19-9-6-17(14-20(19)25-3)21(24)23-12-10-16-4-7-18(22)8-5-16/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)
InChIKeyPMDXUAKKKRCNQJ-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501403
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 18268789
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18839435
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
CID 146022969
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide (CID 112790971) is N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)NCCc2ccc(F)cc2)ccc1OCCC(C)C.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is PMDXUAKKKRCNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-15(2)11-13-26-19-9-6-17(14-20(19)25-3)21(24)23-12-10-16-4-7-18(22)8-5-16/h4-9,14-15H,10-13H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 359.44 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 112790971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).