N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide

C20H24FNO2 — CID 133225143

IUPACN-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1F
InChIInChI=1S/C20H24FNO2/c1-13(14-6-9-16(10-7-14)20(2,3)4)22-19(23)15-8-11-18(24-5)17(21)12-15/h6-13H,1-5H3,(H,22,23)
InChIKeyHROAVKZBDNXWPB-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.62
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide

N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide (PubChem CID 133225143) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
PubChem CID133225143
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1F
InChIInChI=1S/C20H24FNO2/c1-13(14-6-9-16(10-7-14)20(2,3)4)22-19(23)15-8-11-18(24-5)17(21)12-15/h6-13H,1-5H3,(H,22,23)
InChIKeyHROAVKZBDNXWPB-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
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
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
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-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide (CID 133225143) is N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1F.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is HROAVKZBDNXWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-13(14-6-9-16(10-7-14)20(2,3)4)22-19(23)15-8-11-18(24-5)17(21)12-15/h6-13H,1-5H3,(H,22,23).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide?
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 329.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 133225143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).