3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide

C18H21FN2O2 — CID 110795180

IUPAC3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(F)cc1CCNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H21FN2O2/c1-21(2)16-6-4-5-14(12-16)18(22)20-10-9-13-11-15(19)7-8-17(13)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyPKNOEMGXYLISDO-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.87
Rot. Bonds6

About 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide

3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide (PubChem CID 110795180) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
PubChem CID110795180
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(F)cc1CCNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H21FN2O2/c1-21(2)16-6-4-5-14(12-16)18(22)20-10-9-13-11-15(19)7-8-17(13)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyPKNOEMGXYLISDO-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide 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

N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110795185
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
CID 110794429
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096429
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
3-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115321
1-N-[2-(2-methoxyphenyl)ethyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109055465
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide (CID 110795180) is 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide is COc1ccc(F)cc1CCNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide?
The InChIKey is PKNOEMGXYLISDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(2)16-6-4-5-14(12-16)18(22)20-10-9-13-11-15(19)7-8-17(13)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide?
3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide has a molecular weight of 316.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 110795180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).