3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide

C20H20ClN3O2 — CID 90092392

IUPAC3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2C(=O)NC(C)(C)C#N)c(C)c1
InChIInChI=1S/C20H20ClN3O2/c1-12-8-9-16(13(2)10-12)23-18(25)14-6-5-7-15(21)17(14)19(26)24-20(3,4)11-22/h5-10H,1-4H3,(H,23,25)(H,24,26)
InChIKeyILZMHOGEJDCHHH-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.24
Rot. Bonds4

About 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide

3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide (PubChem CID 90092392) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide
PubChem CID90092392
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2C(=O)NC(C)(C)C#N)c(C)c1
InChIInChI=1S/C20H20ClN3O2/c1-12-8-9-16(13(2)10-12)23-18(25)14-6-5-7-15(21)17(14)19(26)24-20(3,4)11-22/h5-10H,1-4H3,(H,23,25)(H,24,26)
InChIKeyILZMHOGEJDCHHH-UHFFFAOYSA-N
XLogP4.24
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-(2-cyanopropan-2-yl)-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methylbenzene-1,2-dicarboxamide
CID 123889396
2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide
CID 168541901
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
CID 19166051
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide?
The IUPAC name of 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide (CID 90092392) is 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide is Cc1ccc(NC(=O)c2cccc(Cl)c2C(=O)NC(C)(C)C#N)c(C)c1.
What is the InChIKey of 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide?
The InChIKey is ILZMHOGEJDCHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-12-8-9-16(13(2)10-12)23-18(25)14-6-5-7-15(21)17(14)19(26)24-20(3,4)11-22/h5-10H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide?
3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 90092392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).