N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide

C22H16ClN3O2 — CID 135851112

IUPACN-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=N/C(=N\c3ccccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C22H16ClN3O2/c1-28-15-12-10-14(11-13-15)22(27)26-21-17-7-3-2-6-16(17)20(25-21)24-19-9-5-4-8-18(19)23/h2-13H,1H3,(H,24,25,26,27)
InChIKeyJIUKEGPLGSUGOS-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.62
Rot. Bonds3

About N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide

N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide (PubChem CID 135851112) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide
PubChem CID135851112
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=N/C(=N\c3ccccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C22H16ClN3O2/c1-28-15-12-10-14(11-13-15)22(27)26-21-17-7-3-2-6-16(17)20(25-21)24-19-9-5-4-8-18(19)23/h2-13H,1H3,(H,24,25,26,27)
InChIKeyJIUKEGPLGSUGOS-UHFFFAOYSA-N
XLogP4.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
N-[3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-4-methoxybenzamide
CID 4908068
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
CID 4825619
N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]-4-methoxybenzamide
CID 4860255
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
CID 175345208

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide?
The IUPAC name of N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide (CID 135851112) is N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2=N/C(=N\c3ccccc3Cl)c3ccccc32)cc1.
What is the InChIKey of N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide?
The InChIKey is JIUKEGPLGSUGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-28-15-12-10-14(11-13-15)22(27)26-21-17-7-3-2-6-16(17)20(25-21)24-19-9-5-4-8-18(19)23/h2-13H,1H3,(H,24,25,26,27).
What are the key properties of N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide?
N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide has a molecular weight of 389.84 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)iminoisoindol-1-yl]-4-methoxybenzamide is sourced from PubChem (CID 135851112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).