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

C16H13N3O3 — CID 54485980

IUPACN-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H13N3O3/c1-8-6-10(17)3-5-13(8)18-14(20)9-2-4-11-12(7-9)16(22)19-15(11)21/h2-7H,17H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyXSIFBDHOVUSPCM-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.71
Rot. Bonds2

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

N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 54485980) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID54485980
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H13N3O3/c1-8-6-10(17)3-5-13(8)18-14(20)9-2-4-11-12(7-9)16(22)19-15(11)21/h2-7H,17H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyXSIFBDHOVUSPCM-UHFFFAOYSA-N
XLogP1.71
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.71
H-Bond Donors ≤ 53
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

N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103807580
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
CID 81290329
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26915292
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590
N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 99804576
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 54485980) is N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1cc(N)ccc1NC(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XSIFBDHOVUSPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-8-6-10(17)3-5-13(8)18-14(20)9-2-4-11-12(7-9)16(22)19-15(11)21/h2-7H,17H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 54485980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).