(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide

C16H14ClNO3 — CID 6017178

IUPAC(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1O
InChIInChI=1S/C16H14ClNO3/c1-21-15-8-7-12(17)10-13(15)18-16(20)9-6-11-4-2-3-5-14(11)19/h2-10,19H,1H3,(H,18,20)/b9-6+
InChIKeyQGKDSCOHAXKLQP-RMKNXTFCSA-N
MW303.75 g/mol
LogP3.71
Rot. Bonds4

About (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide

(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide (PubChem CID 6017178) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
PubChem CID6017178
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1O
InChIInChI=1S/C16H14ClNO3/c1-21-15-8-7-12(17)10-13(15)18-16(20)9-6-11-4-2-3-5-14(11)19/h2-10,19H,1H3,(H,18,20)/b9-6+
InChIKeyQGKDSCOHAXKLQP-RMKNXTFCSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 17341208
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
methyl 4-[(E)-3-(5-chloro-2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 40627752
(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
CID 9073408
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-3-(1,3-benzothiazol-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 7740999
N-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 76890359

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide (CID 6017178) is (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide is COc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1O.
What is the InChIKey of (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide?
The InChIKey is QGKDSCOHAXKLQP-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-21-15-8-7-12(17)10-13(15)18-16(20)9-6-11-4-2-3-5-14(11)19/h2-10,19H,1H3,(H,18,20)/b9-6+.
What are the key properties of (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide?
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide has a molecular weight of 303.75 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 6017178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).