3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide

C21H25Cl2N3O2 — CID 55638196

IUPAC3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-21(2,13-26(3)4)12-24-19(27)14-5-7-18(8-6-14)25-20(28)15-9-16(22)11-17(23)10-15/h5-11H,12-13H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPPTALEFSOVCDMD-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.56
Rot. Bonds7

About 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide

3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide (PubChem CID 55638196) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide
PubChem CID55638196
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-21(2,13-26(3)4)12-24-19(27)14-5-7-18(8-6-14)25-20(28)15-9-16(22)11-17(23)10-15/h5-11H,12-13H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPPTALEFSOVCDMD-UHFFFAOYSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide
CID 55638128
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-iodobenzamide
CID 55684463
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
1-(4-acetylphenyl)-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea
CID 18230092
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55370304
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 61091598
3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
CID 37344285

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide (CID 55638196) is 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide is CN(C)CC(C)(C)CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide?
The InChIKey is PPTALEFSOVCDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-21(2,13-26(3)4)12-24-19(27)14-5-7-18(8-6-14)25-20(28)15-9-16(22)11-17(23)10-15/h5-11H,12-13H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide?
3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide has a molecular weight of 422.36 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 55638196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).