N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide

C17H18FNO2 — CID 78800954

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C17H18FNO2/c1-3-19(12-13-6-4-8-15(18)10-13)17(20)14-7-5-9-16(11-14)21-2/h4-11H,3,12H2,1-2H3
InChIKeyZKPWLFYGDMSTPR-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.50
Rot. Bonds5

About N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide

N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide (PubChem CID 78800954) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
PubChem CID78800954
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C17H18FNO2/c1-3-19(12-13-6-4-8-15(18)10-13)17(20)14-7-5-9-16(11-14)21-2/h4-11H,3,12H2,1-2H3
InChIKeyZKPWLFYGDMSTPR-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

phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 47047870
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-methoxy-N,N-dipropylbenzamide
CID 669439
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 171547530
3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
CID 46410054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide (CID 78800954) is N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide is CCN(Cc1cccc(F)c1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide?
The InChIKey is ZKPWLFYGDMSTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-19(12-13-6-4-8-15(18)10-13)17(20)14-7-5-9-16(11-14)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-3-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-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 78800954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).