N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide

C19H17Cl2N3O3 — CID 27160971

IUPACN-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2C1=O
InChIInChI=1S/C19H17Cl2N3O3/c1-2-3-6-24-18(26)12-5-4-10(7-13(12)19(24)27)17(25)23-11-8-14(20)16(22)15(21)9-11/h4-5,7-9H,2-3,6,22H2,1H3,(H,23,25)
InChIKeyPEOYCRBPOFNYMH-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.22
Rot. Bonds5

About N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide

N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 27160971) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID27160971
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2C1=O
InChIInChI=1S/C19H17Cl2N3O3/c1-2-3-6-24-18(26)12-5-4-10(7-13(12)19(24)27)17(25)23-11-8-14(20)16(22)15(21)9-11/h4-5,7-9H,2-3,6,22H2,1H3,(H,23,25)
InChIKeyPEOYCRBPOFNYMH-UHFFFAOYSA-N
XLogP4.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
N-(4-acetamido-3-chlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 25469263
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17342556
N-(5-amino-2-methylphenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 120568324
2-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9320735
2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 26252592
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-1,3-dioxo-N-[3-(thiophene-2-carbonylamino)phenyl]isoindole-5-carboxamide
CID 31520702

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide (CID 27160971) is N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2C1=O.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PEOYCRBPOFNYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-2-3-6-24-18(26)12-5-4-10(7-13(12)19(24)27)17(25)23-11-8-14(20)16(22)15(21)9-11/h4-5,7-9H,2-3,6,22H2,1H3,(H,23,25).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide?
N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 27160971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).