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

C20H24FNO3 — CID 112791004

IUPACN-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCCC(C)C
InChIInChI=1S/C20H24FNO3/c1-14(2)10-11-25-18-9-6-16(12-19(18)24-3)20(23)22-13-15-4-7-17(21)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyJIHRZZCPHAXMGL-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.19
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 112791004) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID112791004
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCCC(C)C
InChIInChI=1S/C20H24FNO3/c1-14(2)10-11-25-18-9-6-16(12-19(18)24-3)20(23)22-13-15-4-7-17(21)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyJIHRZZCPHAXMGL-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18839435
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501403
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 87043392
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 4798518
5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
CID 46556890
[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501487

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide (CID 112791004) is N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCCC(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is JIHRZZCPHAXMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-14(2)10-11-25-18-9-6-16(12-19(18)24-3)20(23)22-13-15-4-7-17(21)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 345.41 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 112791004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).