4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide

C19H19Cl2N3O2 — CID 35266299

IUPAC4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CC(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-2-1-3-16(21)18(15)23-17(25)11-24(14-8-9-14)10-12-4-6-13(7-5-12)19(22)26/h1-7,14H,8-11H2,(H2,22,26)(H,23,25)
InChIKeyMOKINAUJKXJSJL-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.70
Rot. Bonds7

About 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide

4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide (PubChem CID 35266299) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
PubChem CID35266299
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CC(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-2-1-3-16(21)18(15)23-17(25)11-24(14-8-9-14)10-12-4-6-13(7-5-12)19(22)26/h1-7,14H,8-11H2,(H2,22,26)(H,23,25)
InChIKeyMOKINAUJKXJSJL-UHFFFAOYSA-N
XLogP3.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30823480
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 46568070
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide
CID 46568042
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid
CID 60834197
4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
CID 43054825
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide (CID 35266299) is 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide is NC(=O)c1ccc(CN(CC(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is MOKINAUJKXJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-15-2-1-3-16(21)18(15)23-17(25)11-24(14-8-9-14)10-12-4-6-13(7-5-12)19(22)26/h1-7,14H,8-11H2,(H2,22,26)(H,23,25).
What are the key properties of 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide?
4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 392.29 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 35266299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).