3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide

C18H18Cl2N2O2 — CID 9293234

IUPAC3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
SMILESCC(C)c1cccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-11(2)12-4-3-5-14(8-12)22-17(23)10-21-18(24)13-6-7-15(19)16(20)9-13/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyXIPIZSFAJFWLEX-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.49
Rot. Bonds5

About 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide

3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide (PubChem CID 9293234) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
PubChem CID9293234
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
SMILESCC(C)c1cccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-11(2)12-4-3-5-14(8-12)22-17(23)10-21-18(24)13-6-7-15(19)16(20)9-13/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyXIPIZSFAJFWLEX-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997392
3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001415
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 26776799
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26592239
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 18272438
3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
CID 42467160
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide (CID 9293234) is 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide is CC(C)c1cccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is XIPIZSFAJFWLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11(2)12-4-3-5-14(8-12)22-17(23)10-21-18(24)13-6-7-15(19)16(20)9-13/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 9293234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).