4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide

C19H21FN2O2 — CID 109042913

IUPAC4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-12-21-18(23)15-5-7-16(8-6-15)19(24)22-13-11-14-3-9-17(20)10-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeySGVLPTBOBFGBMC-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.94
Rot. Bonds7

About 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide

4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide (PubChem CID 109042913) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
PubChem CID109042913
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-12-21-18(23)15-5-7-16(8-6-15)19(24)22-13-11-14-3-9-17(20)10-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeySGVLPTBOBFGBMC-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 86613992
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide (CID 109042913) is 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide is CCCNC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide?
The InChIKey is SGVLPTBOBFGBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-12-21-18(23)15-5-7-16(8-6-15)19(24)22-13-11-14-3-9-17(20)10-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide?
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109042913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).