4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

C20H21F2N3O3 — CID 109045931

IUPAC4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H21F2N3O3/c21-16-5-6-18(17(22)13-16)24-20(27)15-3-1-14(2-4-15)19(26)23-7-8-25-9-11-28-12-10-25/h1-6,13H,7-12H2,(H,23,26)(H,24,27)
InChIKeyBUQITAKZTVKUSY-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.28
Rot. Bonds6

About 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 109045931) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID109045931
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H21F2N3O3/c21-16-5-6-18(17(22)13-16)24-20(27)15-3-1-14(2-4-15)19(26)23-7-8-25-9-11-28-12-10-25/h1-6,13H,7-12H2,(H,23,26)(H,24,27)
InChIKeyBUQITAKZTVKUSY-UHFFFAOYSA-N
XLogP2.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168130
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
N-(2,4-difluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185897
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
4-(2,4-difluoroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207564
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301529

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (CID 109045931) is 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is O=C(NCCN1CCOCC1)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is BUQITAKZTVKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c21-16-5-6-18(17(22)13-16)24-20(27)15-3-1-14(2-4-15)19(26)23-7-8-25-9-11-28-12-10-25/h1-6,13H,7-12H2,(H,23,26)(H,24,27).
What are the key properties of 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 389.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).