[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate

C17H15NO3 — CID 139968489

IUPAC[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1C(=O)c1ccccc1N
InChIInChI=1S/C17H15NO3/c1-11(2)17(20)21-15-10-6-4-8-13(15)16(19)12-7-3-5-9-14(12)18/h3-10H,1,18H2,2H3
InChIKeyOZJQCXLSPGQRHR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.98
Rot. Bonds4

About [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate

[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate (PubChem CID 139968489) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
PubChem CID139968489
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1C(=O)c1ccccc1N
InChIInChI=1S/C17H15NO3/c1-11(2)17(20)21-15-10-6-4-8-13(15)16(19)12-7-3-5-9-14(12)18/h3-10H,1,18H2,2H3
InChIKeyOZJQCXLSPGQRHR-UHFFFAOYSA-N
XLogP2.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 116591872
[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968498
benzyl 2-(2-methylprop-2-enoyloxy)benzoate;ethane
CID 153361081
pentyl 2-(2-methylprop-2-enoyloxy)benzoate
CID 89120577
tert-butyl 2-amino-3-(2-methylprop-2-enoyloxy)benzoate
CID 118047130
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate (CID 139968489) is [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1C(=O)c1ccccc1N.
What is the InChIKey of [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is OZJQCXLSPGQRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11(2)17(20)21-15-10-6-4-8-13(15)16(19)12-7-3-5-9-14(12)18/h3-10H,1,18H2,2H3.
What are the key properties of [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate?
[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 281.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139968489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).