N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide

C22H15ClN2O3 — CID 1189042

IUPACN-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H15ClN2O3/c1-13-12-15(23)8-11-19(13)24-20(26)14-6-9-16(10-7-14)25-21(27)17-4-2-3-5-18(17)22(25)28/h2-12H,1H3,(H,24,26)
InChIKeyZNMXHIWQJWIGMA-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.70
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide

N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 1189042) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID1189042
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H15ClN2O3/c1-13-12-15(23)8-11-19(13)24-20(26)14-6-9-16(10-7-14)25-21(27)17-4-2-3-5-18(17)22(25)28/h2-12H,1H3,(H,24,26)
InChIKeyZNMXHIWQJWIGMA-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 4628171
N-(2-chloro-4-nitrophenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 17016407
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 1271171
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168518948
4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1188867
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
CID 19165779
N-(4-chloro-2-methylphenyl)-5-ethyl-6-oxobenzo[b][1,4]benzoxazepine-3-carboxamide
CID 53132941
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 1189042) is N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is ZNMXHIWQJWIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c1-13-12-15(23)8-11-19(13)24-20(26)14-6-9-16(10-7-14)25-21(27)17-4-2-3-5-18(17)22(25)28/h2-12H,1H3,(H,24,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 390.83 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 1189042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).