N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C20H23ClN2O2 — CID 55335504

IUPACN-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(=O)Nc2ccc(Cl)cc2C)C(C)C)c1
InChIInChI=1S/C20H23ClN2O2/c1-12(2)18(23-19(24)15-7-5-6-13(3)10-15)20(25)22-17-9-8-16(21)11-14(17)4/h5-12,18H,1-4H3,(H,22,25)(H,23,24)
InChIKeyFVMUGPVWXGVSRI-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.35
Rot. Bonds5

About N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 55335504) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID55335504
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C(=O)Nc2ccc(Cl)cc2C)C(C)C)c1
InChIInChI=1S/C20H23ClN2O2/c1-12(2)18(23-19(24)15-7-5-6-13(3)10-15)20(25)22-17-9-8-16(21)11-14(17)4/h5-12,18H,1-4H3,(H,22,25)(H,23,24)
InChIKeyFVMUGPVWXGVSRI-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112763269
3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55335505
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134019283
N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 9138404
N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 51148391
2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 119240343
N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166070249
N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55611381
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3919452
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 55335504) is N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C(=O)Nc2ccc(Cl)cc2C)C(C)C)c1.
What is the InChIKey of N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is FVMUGPVWXGVSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-12(2)18(23-19(24)15-7-5-6-13(3)10-15)20(25)22-17-9-8-16(21)11-14(17)4/h5-12,18H,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 358.87 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55335504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).