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

C18H19ClN2O2 — CID 24537992

IUPAC3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)13-6-8-16(9-7-13)21-17(22)11-20-18(23)14-4-3-5-15(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJYMCNKNKBOCQHH-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.83
Rot. Bonds5

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

3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide (PubChem CID 24537992) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
PubChem CID24537992
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)13-6-8-16(9-7-13)21-17(22)11-20-18(23)14-4-3-5-15(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJYMCNKNKBOCQHH-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 9219617
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide
CID 55599525
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
CID 47005544
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide
CID 55839601
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46654447

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide (CID 24537992) is 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide is CC(C)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is JYMCNKNKBOCQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(2)13-6-8-16(9-7-13)21-17(22)11-20-18(23)14-4-3-5-15(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide?
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 24537992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).