3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide

C19H18Cl4N2O2 — CID 4842606

IUPAC3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
SMILESCCC(CCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl4N2O2/c1-2-13(25-19(27)12-4-6-15(21)17(23)10-12)7-8-24-18(26)11-3-5-14(20)16(22)9-11/h3-6,9-10,13H,2,7-8H2,1H3,(H,24,26)(H,25,27)
InChIKeyZVTYDIUMWWARGO-UHFFFAOYSA-N
MW448.18 g/mol
LogP5.63
Rot. Bonds7

About 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide

3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide (PubChem CID 4842606) has the molecular formula C19H18Cl4N2O2 and a molecular weight of 448.18 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
PubChem CID4842606
Molecular FormulaC19H18Cl4N2O2
Molecular Weight448.18 g/mol
Exact Mass446.01
IUPAC Name3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
SMILESCCC(CCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl4N2O2/c1-2-13(25-19(27)12-4-6-15(21)17(23)10-12)7-8-24-18(26)11-3-5-14(20)16(22)9-11/h3-6,9-10,13H,2,7-8H2,1H3,(H,24,26)(H,25,27)
InChIKeyZVTYDIUMWWARGO-UHFFFAOYSA-N
XLogP5.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.18
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide
CID 70798999
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
3-bromo-N-(1-bromopentan-3-yl)-4-chlorobenzamide
CID 107994222
N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
CID 65193516
N-(1-bromopentan-3-yl)-4-chloro-3-fluorobenzamide
CID 107994226
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide (CID 4842606) is 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide is CCC(CCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide?
The InChIKey is ZVTYDIUMWWARGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl4N2O2/c1-2-13(25-19(27)12-4-6-15(21)17(23)10-12)7-8-24-18(26)11-3-5-14(20)16(22)9-11/h3-6,9-10,13H,2,7-8H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide?
3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide has a molecular weight of 448.18 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide is sourced from PubChem (CID 4842606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).