(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide

C17H16ClNO3 — CID 5469774

IUPAC(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide
SMILESCN(O)C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO3/c1-19(21)17(20)10-7-13-5-8-16(9-6-13)22-12-14-3-2-4-15(18)11-14/h2-11,21H,12H2,1H3/b10-7+
InChIKeyNWYOAEXHNMHWPG-JXMROGBWSA-N
MW317.77 g/mol
LogP3.78
Rot. Bonds5

About (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide

(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide (PubChem CID 5469774) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide
PubChem CID5469774
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide
SMILESCN(O)C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO3/c1-19(21)17(20)10-7-13-5-8-16(9-6-13)22-12-14-3-2-4-15(18)11-14/h2-11,21H,12H2,1H3/b10-7+
InChIKeyNWYOAEXHNMHWPG-JXMROGBWSA-N
XLogP3.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 2763529
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
N-[1-[4-[(3-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-ylidene]hydroxylamine
CID 141480396
(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91684573
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
(E)-N-hydroxy-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 14545026
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
3-[4-[(3-chlorophenyl)methoxymethyl]phenyl]prop-2-enoic acid
CID 77056894
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide (CID 5469774) is (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide is CN(O)C(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide?
The InChIKey is NWYOAEXHNMHWPG-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-19(21)17(20)10-7-13-5-8-16(9-6-13)22-12-14-3-2-4-15(18)11-14/h2-11,21H,12H2,1H3/b10-7+.
What are the key properties of (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide?
(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide has a molecular weight of 317.77 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-hydroxy-N-methylprop-2-enamide is sourced from PubChem (CID 5469774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).