2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide

C20H22Cl2N2O3 — CID 43001585

IUPAC2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCOc1cccc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-12(2)9-18(20(26)23-14-5-4-6-15(11-14)27-3)24-19(25)16-8-7-13(21)10-17(16)22/h4-8,10-12,18H,9H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyIQVWPOJUUTYHNM-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.79
Rot. Bonds7

About 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 43001585) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID43001585
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCOc1cccc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-12(2)9-18(20(26)23-14-5-4-6-15(11-14)27-3)24-19(25)16-8-7-13(21)10-17(16)22/h4-8,10-12,18H,9H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyIQVWPOJUUTYHNM-UHFFFAOYSA-N
XLogP4.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
2,4-dichloro-N-[(2S)-1-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 98399123
N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079524
2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 46699574
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 51065776
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
CID 71584556
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 43001585) is 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide is COc1cccc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is IQVWPOJUUTYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-12(2)9-18(20(26)23-14-5-4-6-15(11-14)27-3)24-19(25)16-8-7-13(21)10-17(16)22/h4-8,10-12,18H,9H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide?
2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 409.31 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 43001585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).