N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide

C17H18FNO2 — CID 103602990

IUPACN-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C17H18FNO2/c1-3-19(12-13-7-5-4-6-8-13)17(20)15-10-9-14(21-2)11-16(15)18/h4-11H,3,12H2,1-2H3
InChIKeyNPQLTUPGZISLQS-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.50
Rot. Bonds5

About N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide

N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide (PubChem CID 103602990) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
PubChem CID103602990
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C17H18FNO2/c1-3-19(12-13-7-5-4-6-8-13)17(20)15-10-9-14(21-2)11-16(15)18/h4-11H,3,12H2,1-2H3
InChIKeyNPQLTUPGZISLQS-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
CID 113206541
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
N-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102884787
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide (CID 103602990) is N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1F.
What is the InChIKey of N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide?
The InChIKey is NPQLTUPGZISLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-19(12-13-7-5-4-6-8-13)17(20)15-10-9-14(21-2)11-16(15)18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide?
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103602990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).