2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide

C22H14Cl2N2O3 — CID 1335673

IUPAC2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc2Cl)cc1Cl
InChIInChI=1S/C22H14Cl2N2O3/c1-12-6-7-13(10-19(12)24)25-20(27)17-11-14(8-9-18(17)23)26-21(28)15-4-2-3-5-16(15)22(26)29/h2-11H,1H3,(H,25,27)
InChIKeyYDRHLNZKTMEQMK-UHFFFAOYSA-N
MW425.27 g/mol
LogP5.35
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide

2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 1335673) has the molecular formula C22H14Cl2N2O3 and a molecular weight of 425.27 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID1335673
Molecular FormulaC22H14Cl2N2O3
Molecular Weight425.27 g/mol
Exact Mass424.04
IUPAC Name2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc2Cl)cc1Cl
InChIInChI=1S/C22H14Cl2N2O3/c1-12-6-7-13(10-19(12)24)25-20(27)17-11-14(8-9-18(17)23)26-21(28)15-4-2-3-5-16(15)22(26)29/h2-11H,1H3,(H,25,27)
InChIKeyYDRHLNZKTMEQMK-UHFFFAOYSA-N
XLogP5.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 55.35
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

5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide
CID 56506673
propan-2-yl 2-chloro-5-(1,3-dioxoisoindol-2-yl)benzoate
CID 100933018
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide
CID 1318497
2,5-dichloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-3-carboxamide
CID 55778635
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide (CID 1335673) is 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide is Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is YDRHLNZKTMEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O3/c1-12-6-7-13(10-19(12)24)25-20(27)17-11-14(8-9-18(17)23)26-21(28)15-4-2-3-5-16(15)22(26)29/h2-11H,1H3,(H,25,27).
What are the key properties of 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide?
2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 425.27 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 1335673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).