(E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid

C16H13NO4 — CID 43654538

IUPAC(E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(NC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C16H13NO4/c18-14-3-1-2-12(10-14)16(21)17-13-7-4-11(5-8-13)6-9-15(19)20/h1-10,18H,(H,17,21)(H,19,20)/b9-6+
InChIKeyDYFDVEMHGJNPGJ-RMKNXTFCSA-N
MW283.28 g/mol
LogP2.74
Rot. Bonds4

About (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid

(E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid (PubChem CID 43654538) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid
PubChem CID43654538
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(NC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C16H13NO4/c18-14-3-1-2-12(10-14)16(21)17-13-7-4-11(5-8-13)6-9-15(19)20/h1-10,18H,(H,17,21)(H,19,20)/b9-6+
InChIKeyDYFDVEMHGJNPGJ-RMKNXTFCSA-N
XLogP2.74
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(3-bromobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411616
3-[4-(2H-benzotriazole-5-carbonylamino)phenyl]prop-2-enoic acid
CID 66965268
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
(E)-3-[4-[(4-iodobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411611
3-hydroxy-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933166
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
(E)-3-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]prop-2-enoic acid
CID 21486337
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
3-[4-(carbamoylamino)phenyl]prop-2-enoic acid
CID 54391419
(E)-3-[4-[(2-fluorobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411613

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid (CID 43654538) is (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(NC(=O)c2cccc(O)c2)cc1.
What is the InChIKey of (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid?
The InChIKey is DYFDVEMHGJNPGJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H13NO4/c18-14-3-1-2-12(10-14)16(21)17-13-7-4-11(5-8-13)6-9-15(19)20/h1-10,18H,(H,17,21)(H,19,20)/b9-6+.
What are the key properties of (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid?
(E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid has a molecular weight of 283.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid is sourced from PubChem (CID 43654538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).