4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide

C18H19ClN2O3 — CID 112999004

IUPAC4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)24-16-6-4-3-5-15(16)21-17(22)11-20-18(23)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYEGMWWUUGLZZMN-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.50
Rot. Bonds6

About 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide

4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide (PubChem CID 112999004) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
PubChem CID112999004
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)24-16-6-4-3-5-15(16)21-17(22)11-20-18(23)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYEGMWWUUGLZZMN-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999010
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54839172
2-[2-(4-chlorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109002867
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
CID 110698081
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54835570
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide (CID 112999004) is 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide is CC(C)Oc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide?
The InChIKey is YEGMWWUUGLZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(2)24-16-6-4-3-5-15(16)21-17(22)11-20-18(23)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide?
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide is sourced from PubChem (CID 112999004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).