N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide

C19H20Cl2N2O2 — CID 9413593

IUPACN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)12-4-7-14(8-5-12)23-17(24)11-22-18(25)15-9-6-13(20)10-16(15)21/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFGYZZUNEYRFNEI-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.66
Rot. Bonds4

About N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide

N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide (PubChem CID 9413593) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
PubChem CID9413593
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)12-4-7-14(8-5-12)23-17(24)11-22-18(25)15-9-6-13(20)10-16(15)21/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFGYZZUNEYRFNEI-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

Analyze N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959694
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 112997585
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 3692292

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide (CID 9413593) is N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide is CC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide?
The InChIKey is FGYZZUNEYRFNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-19(2,3)12-4-7-14(8-5-12)23-17(24)11-22-18(25)15-9-6-13(20)10-16(15)21/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide?
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide 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 N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 9413593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).