3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide

C19H20Cl2N2O3 — CID 55599525

IUPAC3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide
SMILESCC(C)COc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-12(2)11-26-17-7-6-15(9-16(17)21)23-18(24)10-22-19(25)13-4-3-5-14(20)8-13/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyAYFZMNYUZRCDAG-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.40
Rot. Bonds7

About 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide

3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide (PubChem CID 55599525) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide
PubChem CID55599525
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide
SMILESCC(C)COc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-12(2)11-26-17-7-6-15(9-16(17)21)23-18(24)10-22-19(25)13-4-3-5-14(20)8-13/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyAYFZMNYUZRCDAG-UHFFFAOYSA-N
XLogP4.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 46600294
3-bromo-N-[2-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 46423639
3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 17488443
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
CID 47005544
3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 9219617
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
CID 37408098

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide (CID 55599525) is 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide is CC(C)COc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide?
The InChIKey is AYFZMNYUZRCDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-12(2)11-26-17-7-6-15(9-16(17)21)23-18(24)10-22-19(25)13-4-3-5-14(20)8-13/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide has a molecular weight of 395.29 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55599525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).