N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide

C16H16FNO2 — CID 17406706

IUPACN-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-11(12-3-7-14(17)8-4-12)18-16(19)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyNGTCZVCNKXWLLB-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.33
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide

N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 17406706) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
PubChem CID17406706
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-11(12-3-7-14(17)8-4-12)18-16(19)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyNGTCZVCNKXWLLB-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide (CID 17406706) is N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is NGTCZVCNKXWLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(12-3-7-14(17)8-4-12)18-16(19)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide?
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 17406706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).