N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide

C17H18FNO3 — CID 880770

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO3/c1-11(15-10-14(21-2)8-9-16(15)22-3)19-17(20)12-4-6-13(18)7-5-12/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyFPCRNXWAVNRSSN-NSHDSACASA-N
MW303.33 g/mol
LogP3.33
Rot. Bonds5

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide (PubChem CID 880770) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
PubChem CID880770
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO3/c1-11(15-10-14(21-2)8-9-16(15)22-3)19-17(20)12-4-6-13(18)7-5-12/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyFPCRNXWAVNRSSN-NSHDSACASA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 133200218
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 9477750
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-3-nitrobenzamide
CID 9478299

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide (CID 880770) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide is COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide?
The InChIKey is FPCRNXWAVNRSSN-NSHDSACASA-N. The full InChI is InChI=1S/C17H18FNO3/c1-11(15-10-14(21-2)8-9-16(15)22-3)19-17(20)12-4-6-13(18)7-5-12/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide has a molecular weight of 303.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 880770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).