4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide

C19H20Cl2N2O2 — CID 113001418

IUPAC4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)13-9-7-12(8-10-13)18(25)22-11-16(24)23-17-14(20)5-4-6-15(17)21/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyOGWRDCWGWAPSBF-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.66
Rot. Bonds4

About 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide (PubChem CID 113001418) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
PubChem CID113001418
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)13-9-7-12(8-10-13)18(25)22-11-16(24)23-17-14(20)5-4-6-15(17)21/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyOGWRDCWGWAPSBF-UHFFFAOYSA-N
XLogP4.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001415
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625515
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113001445
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
CID 113001397

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide (CID 113001418) is 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide?
The InChIKey is OGWRDCWGWAPSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-19(2,3)13-9-7-12(8-10-13)18(25)22-11-16(24)23-17-14(20)5-4-6-15(17)21/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 113001418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).