3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide

C19H20Cl2N2O2 — CID 112997392

IUPAC3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-11(2)14-6-4-5-12(3)18(14)23-17(24)10-22-19(25)13-7-8-15(20)16(21)9-13/h4-9,11H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQKVYCSMDPXBNTJ-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.79
Rot. Bonds5

About 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide

3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide (PubChem CID 112997392) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
PubChem CID112997392
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-11(2)14-6-4-5-12(3)18(14)23-17(24)10-22-19(25)13-7-8-15(20)16(21)9-13/h4-9,11H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQKVYCSMDPXBNTJ-UHFFFAOYSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001415
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
2-(N-acetyl-3,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179490
3-chloro-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
CID 840735
methyl 4-chloro-3-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008110
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878208
2-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997388
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883655
N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954608
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide (CID 112997392) is 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide is Cc1cccc(C(C)C)c1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is QKVYCSMDPXBNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-11(2)14-6-4-5-12(3)18(14)23-17(24)10-22-19(25)13-7-8-15(20)16(21)9-13/h4-9,11H,10H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112997392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).