2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C19H20Cl2N2O2 — CID 2452785

IUPAC2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C19H20Cl2N2O2/c1-11(2)17(23-18(24)13-7-4-5-8-15(13)21)19(25)22-16-10-6-9-14(20)12(16)3/h4-11,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyGKMFFJMIIOLLLP-KRWDZBQOSA-N
MW379.29 g/mol
LogP4.69
Rot. Bonds5

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

2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 2452785) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID2452785
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C19H20Cl2N2O2/c1-11(2)17(23-18(24)13-7-4-5-8-15(13)21)19(25)22-16-10-6-9-14(20)12(16)3/h4-11,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyGKMFFJMIIOLLLP-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 2452785) is 2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide is Cc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is GKMFFJMIIOLLLP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-11(2)17(23-18(24)13-7-4-5-8-15(13)21)19(25)22-16-10-6-9-14(20)12(16)3/h4-11,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-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-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2452785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).