5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide

C18H18Cl2N2O3 — CID 46180343

IUPAC5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
SMILESCC(C)C(NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-10(2)16(18(25)21-13-5-3-4-11(19)8-13)22-17(24)14-9-12(20)6-7-15(14)23/h3-10,16,23H,1-2H3,(H,21,25)(H,22,24)
InChIKeyIYCDUYRXILCPOP-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.09
Rot. Bonds5

About 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide

5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide (PubChem CID 46180343) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
PubChem CID46180343
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
SMILESCC(C)C(NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-10(2)16(18(25)21-13-5-3-4-11(19)8-13)22-17(24)14-9-12(20)6-7-15(14)23/h3-10,16,23H,1-2H3,(H,21,25)(H,22,24)
InChIKeyIYCDUYRXILCPOP-UHFFFAOYSA-N
XLogP4.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
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CID 102165998
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
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N-[(2S)-1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634786
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51194882
N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide
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4-chloro-N-[(2S)-3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
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5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 70853824
2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
4-chloro-N-[3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 55416259
5-chloro-N-[(2S,3S)-4-(3,4-difluoroanilino)-3-methyl-4-oxobutan-2-yl]-2-hydroxybenzamide
CID 166667403

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide (CID 46180343) is 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide is CC(C)C(NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide?
The InChIKey is IYCDUYRXILCPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-10(2)16(18(25)21-13-5-3-4-11(19)8-13)22-17(24)14-9-12(20)6-7-15(14)23/h3-10,16,23H,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide?
5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide has a molecular weight of 381.26 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 46180343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).