3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide

C15H12ClNO3 — CID 73215251

IUPAC3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(-c2ccc(O)c(Cl)c2)cc1)NO
InChIInChI=1S/C15H12ClNO3/c16-13-9-12(6-7-14(13)18)11-4-1-10(2-5-11)3-8-15(19)17-20/h1-9,18,20H,(H,17,19)
InChIKeySQGBQXLCZJOPPV-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.23
Rot. Bonds3

About 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide

3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 73215251) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID73215251
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(-c2ccc(O)c(Cl)c2)cc1)NO
InChIInChI=1S/C15H12ClNO3/c16-13-9-12(6-7-14(13)18)11-4-1-10(2-5-11)3-8-15(19)17-20/h1-9,18,20H,(H,17,19)
InChIKeySQGBQXLCZJOPPV-UHFFFAOYSA-N
XLogP3.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.23
H-Bond Donors ≤ 53
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

(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
CID 170876865
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 159561023
(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide
CID 70692229
(E)-N-hydroxy-3-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl]prop-2-enamide
CID 177379694
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-phenylbenzoic acid
CID 67342565
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenylbenzoic acid
CID 69331362
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-3-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
CID 82880971
3-[4-[3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 73064985

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide (CID 73215251) is 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1ccc(-c2ccc(O)c(Cl)c2)cc1)NO.
What is the InChIKey of 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is SQGBQXLCZJOPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-13-9-12(6-7-14(13)18)11-4-1-10(2-5-11)3-8-15(19)17-20/h1-9,18,20H,(H,17,19).
What are the key properties of 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide?
3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 289.72 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 73215251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).