N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide

C22H25Cl2N3O2 — CID 27807625

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H25Cl2N3O2/c1-26(15-20(28)25-21-18(23)6-5-7-19(21)24)22(29)17-10-8-16(9-11-17)14-27-12-3-2-4-13-27/h5-11H,2-4,12-15H2,1H3,(H,25,28)
InChIKeyXHZFRMOYDMNDHP-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.69
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 27807625) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
PubChem CID27807625
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H25Cl2N3O2/c1-26(15-20(28)25-21-18(23)6-5-7-19(21)24)22(29)17-10-8-16(9-11-17)14-27-12-3-2-4-13-27/h5-11H,2-4,12-15H2,1H3,(H,25,28)
InChIKeyXHZFRMOYDMNDHP-UHFFFAOYSA-N
XLogP4.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 41476856
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 27807231
N-methyl-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]thiophene-2-carboxamide
CID 55654517
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 123142315

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide (CID 27807625) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is XHZFRMOYDMNDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-26(15-20(28)25-21-18(23)6-5-7-19(21)24)22(29)17-10-8-16(9-11-17)14-27-12-3-2-4-13-27/h5-11H,2-4,12-15H2,1H3,(H,25,28).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 434.37 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 27807625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).