N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide

C26H21Cl2N3O4 — CID 1407525

IUPACN-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C26H21Cl2N3O4/c1-14-4-9-18(10-5-14)31-25(33)22(28)23(26(31)34)29-19-12-16(7-6-15(19)2)24(32)30-20-13-17(27)8-11-21(20)35-3/h4-13,29H,1-3H3,(H,30,32)
InChIKeyWMFAWSJSKGVPKU-UHFFFAOYSA-N
MW510.38 g/mol
LogP5.65
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide

N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide (PubChem CID 1407525) has the molecular formula C26H21Cl2N3O4 and a molecular weight of 510.38 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
PubChem CID1407525
Molecular FormulaC26H21Cl2N3O4
Molecular Weight510.38 g/mol
Exact Mass509.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C26H21Cl2N3O4/c1-14-4-9-18(10-5-14)31-25(33)22(28)23(26(31)34)29-19-12-16(7-6-15(19)2)24(32)30-20-13-17(27)8-11-21(20)35-3/h4-13,29H,1-3H3,(H,30,32)
InChIKeyWMFAWSJSKGVPKU-UHFFFAOYSA-N
XLogP5.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.38
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 1407796
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407541
methyl 4-[[3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzoyl]amino]benzoate
CID 1407911
3-(5-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597249
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
CID 1407566
3-[[4-chloro-1-(4-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-ethoxyphenyl)-4-methylbenzamide
CID 1407604
ethyl 3-[[3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzoyl]amino]benzoate
CID 1407533
3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide
CID 1407792
3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-ethoxyphenyl)-4-methylbenzamide
CID 1407894
3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 1407772
N-benzyl-3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407921
3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033956

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide (CID 1407525) is N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide?
The InChIKey is WMFAWSJSKGVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O4/c1-14-4-9-18(10-5-14)31-25(33)22(28)23(26(31)34)29-19-12-16(7-6-15(19)2)24(32)30-20-13-17(27)8-11-21(20)35-3/h4-13,29H,1-3H3,(H,30,32).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide?
N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide has a molecular weight of 510.38 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide is sourced from PubChem (CID 1407525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).