2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide

C20H22Cl2N2O2 — CID 18205011

IUPAC2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-12(2)10-18(20(26)23-15-7-4-13(3)5-8-15)24-19(25)16-9-6-14(21)11-17(16)22/h4-9,11-12,18H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVHIXLCNYMBLEKO-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.09
Rot. Bonds6

About 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide (PubChem CID 18205011) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
PubChem CID18205011
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-12(2)10-18(20(26)23-15-7-4-13(3)5-8-15)24-19(25)16-9-6-14(21)11-17(16)22/h4-9,11-12,18H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVHIXLCNYMBLEKO-UHFFFAOYSA-N
XLogP5.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328
2,4-dichloro-N-[(2S)-4-methyl-1-oxo-1-[4-(tetrazol-1-yl)anilino]pentan-2-yl]benzamide
CID 51873691
2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 46699574
2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43001585
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[1-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55328495
2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60602985
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[(2S)-1-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 98399123

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide (CID 18205011) is 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide is Cc1ccc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide?
The InChIKey is VHIXLCNYMBLEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-12(2)10-18(20(26)23-15-7-4-13(3)5-8-15)24-19(25)16-9-6-14(21)11-17(16)22/h4-9,11-12,18H,10H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide?
2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide has a molecular weight of 393.31 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 18205011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).