2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

C20H23Cl2N3O2 — CID 112764584

IUPAC2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C20H23Cl2N3O2/c1-12(2)18(24-19(26)14-7-5-6-8-15(14)22)20(27)23-16-11-13(21)9-10-17(16)25(3)4/h5-12,18H,1-4H3,(H,23,27)(H,24,26)
InChIKeyWPQDEWPBJPADBK-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.45
Rot. Bonds6

About 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 112764584) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID112764584
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C20H23Cl2N3O2/c1-12(2)18(24-19(26)14-7-5-6-8-15(14)22)20(27)23-16-11-13(21)9-10-17(16)25(3)4/h5-12,18H,1-4H3,(H,23,27)(H,24,26)
InChIKeyWPQDEWPBJPADBK-UHFFFAOYSA-N
XLogP4.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(5-chloro-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8928056
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CID 9138352
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
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2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
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2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide
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CID 9138768
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
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3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 112764584) is 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is WPQDEWPBJPADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-12(2)18(24-19(26)14-7-5-6-8-15(14)22)20(27)23-16-11-13(21)9-10-17(16)25(3)4/h5-12,18H,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 408.33 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 112764584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).