N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide

C26H23ClN2O4 — CID 2582016

IUPACN-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H23ClN2O4/c1-33-21-8-6-7-18(17-21)24(30)28(20-13-11-19(27)12-14-20)15-4-5-16-29-25(31)22-9-2-3-10-23(22)26(29)32/h2-3,6-14,17H,4-5,15-16H2,1H3
InChIKeyOSSUSVJVDYEMAH-UHFFFAOYSA-N
MW462.93 g/mol
LogP5.07
Rot. Bonds8

About N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide

N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide (PubChem CID 2582016) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
PubChem CID2582016
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC NameN-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H23ClN2O4/c1-33-21-8-6-7-18(17-21)24(30)28(20-13-11-19(27)12-14-20)15-4-5-16-29-25(31)22-9-2-3-10-23(22)26(29)32/h2-3,6-14,17H,4-5,15-16H2,1H3
InChIKeyOSSUSVJVDYEMAH-UHFFFAOYSA-N
XLogP5.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
CID 2342210
N-(2,4-dimethylphenyl)-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-3-methoxybenzamide
CID 5114854
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
CID 2296999
3,5-dichloro-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(4-phenoxyphenyl)benzamide
CID 4017285
N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-chloro-N-(4-methoxyphenyl)benzamide
CID 3959956
N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide
CID 19219104
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
CID 131850985
2-chloro-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(4-phenoxyphenyl)benzamide
CID 46496504
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide (CID 2582016) is N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide is COc1cccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide?
The InChIKey is OSSUSVJVDYEMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-33-21-8-6-7-18(17-21)24(30)28(20-13-11-19(27)12-14-20)15-4-5-16-29-25(31)22-9-2-3-10-23(22)26(29)32/h2-3,6-14,17H,4-5,15-16H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide?
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide has a molecular weight of 462.93 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide is sourced from PubChem (CID 2582016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).