2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide

C19H20Cl2N2O2 — CID 9138352

IUPAC2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C19H20Cl2N2O2/c1-11(2)17(19(25)22-16-7-5-4-6-12(16)3)23-18(24)14-9-8-13(20)10-15(14)21/h4-11,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyZZGUGKMZTDOLTJ-KRWDZBQOSA-N
MW379.29 g/mol
LogP4.69
Rot. Bonds5

About 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 9138352) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID9138352
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C19H20Cl2N2O2/c1-11(2)17(19(25)22-16-7-5-4-6-12(16)3)23-18(24)14-9-8-13(20)10-15(14)21/h4-11,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyZZGUGKMZTDOLTJ-KRWDZBQOSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112764584
N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 134046490
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9042478
N-[(2S)-1-(5-chloro-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8928056
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319
2-chloro-N-[1-(2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 78777753
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335504
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55335505
N-[1-(5-acetamido-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55916331
2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 7613237
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112763269

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide (CID 9138352) is 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide is Cc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C.
What is the InChIKey of 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is ZZGUGKMZTDOLTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-11(2)17(19(25)22-16-7-5-4-6-12(16)3)23-18(24)14-9-8-13(20)10-15(14)21/h4-11,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 9138352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).