2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide

C20H21Cl2N3O3 — CID 55852819

IUPAC2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C20H21Cl2N3O3/c1-11(2)18(26)24-13-6-4-7-14(10-13)25-19(27)12(3)23-20(28)15-8-5-9-16(21)17(15)22/h4-12H,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyWTFWRBLIAMBRKW-UHFFFAOYSA-N
MW422.31 g/mol
LogP4.34
Rot. Bonds6

About 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 55852819) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID55852819
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C20H21Cl2N3O3/c1-11(2)18(26)24-13-6-4-7-14(10-13)25-19(27)12(3)23-20(28)15-8-5-9-16(21)17(15)22/h4-12H,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyWTFWRBLIAMBRKW-UHFFFAOYSA-N
XLogP4.34
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
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CID 46579661
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
2,3-dichloro-N-[1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 55740603
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CID 43699994
2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide
CID 86843524
2,3-dichloro-N'-(2-methylpropanoyl)benzohydrazide
CID 26890563
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288
2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 9479366
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307038
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119588241
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide (CID 55852819) is 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide is CC(C)C(=O)Nc1cccc(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is WTFWRBLIAMBRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-11(2)18(26)24-13-6-4-7-14(10-13)25-19(27)12(3)23-20(28)15-8-5-9-16(21)17(15)22/h4-12H,1-3H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 422.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55852819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).