3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide

C22H16Cl3FN2O2 — CID 42708642

IUPAC3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide
SMILESO=C(NCCN(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl3FN2O2/c23-16-4-1-14(2-5-16)22(30)28(18-8-6-17(26)7-9-18)12-11-27-21(29)15-3-10-19(24)20(25)13-15/h1-10,13H,11-12H2,(H,27,29)
InChIKeyGNGHXWDLHVKDLE-UHFFFAOYSA-N
MW465.74 g/mol
LogP5.86
Rot. Bonds6

About 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide

3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide (PubChem CID 42708642) has the molecular formula C22H16Cl3FN2O2 and a molecular weight of 465.74 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide
PubChem CID42708642
Molecular FormulaC22H16Cl3FN2O2
Molecular Weight465.74 g/mol
Exact Mass464.03
IUPAC Name3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide
SMILESO=C(NCCN(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl3FN2O2/c23-16-4-1-14(2-5-16)22(30)28(18-8-6-17(26)7-9-18)12-11-27-21(29)15-3-10-19(24)20(25)13-15/h1-10,13H,11-12H2,(H,27,29)
InChIKeyGNGHXWDLHVKDLE-UHFFFAOYSA-N
XLogP5.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.74
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide
CID 3519796
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
CID 42705494
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
2-chloro-N-[2-(4-fluoro-N-(4-methylbenzoyl)anilino)ethyl]-4-nitrobenzamide
CID 42724527
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-4-fluoro-N-phenylbenzamide
CID 42705688
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide (CID 42708642) is 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide is O=C(NCCN(C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide?
The InChIKey is GNGHXWDLHVKDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3FN2O2/c23-16-4-1-14(2-5-16)22(30)28(18-8-6-17(26)7-9-18)12-11-27-21(29)15-3-10-19(24)20(25)13-15/h1-10,13H,11-12H2,(H,27,29).
What are the key properties of 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide?
3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide has a molecular weight of 465.74 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(N-(4-chlorobenzoyl)-4-fluoroanilino)ethyl]benzamide is sourced from PubChem (CID 42708642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).