N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide

C18H20FNO4 — CID 17397646

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H20FNO4/c1-11(12-5-6-17(24-4)16(19)9-12)20-18(21)13-7-14(22-2)10-15(8-13)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeyORPBMJBDOCIIQK-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.34
Rot. Bonds6

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 17397646) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
PubChem CID17397646
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H20FNO4/c1-11(12-5-6-17(24-4)16(19)9-12)20-18(21)13-7-14(22-2)10-15(8-13)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeyORPBMJBDOCIIQK-UHFFFAOYSA-N
XLogP3.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 24532422
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide (CID 17397646) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(C)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is ORPBMJBDOCIIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-11(12-5-6-17(24-4)16(19)9-12)20-18(21)13-7-14(22-2)10-15(8-13)23-3/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 333.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17397646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).