N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide

C23H19ClN2O4 — CID 122550447

IUPACN-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccccc2C(=O)Nc2cc(Cl)ccc2/C=C/C(=O)NO)cc1
InChIInChI=1S/C23H19ClN2O4/c1-15-6-11-18(12-7-15)30-21-5-3-2-4-19(21)23(28)25-20-14-17(24)10-8-16(20)9-13-22(27)26-29/h2-14,29H,1H3,(H,25,28)(H,26,27)/b13-9+
InChIKeyIGDNSFJHXBPXPD-UKTHLTGXSA-N
MW422.87 g/mol
LogP5.21
Rot. Bonds6

About N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide

N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide (PubChem CID 122550447) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide
PubChem CID122550447
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC NameN-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccccc2C(=O)Nc2cc(Cl)ccc2/C=C/C(=O)NO)cc1
InChIInChI=1S/C23H19ClN2O4/c1-15-6-11-18(12-7-15)30-21-5-3-2-4-19(21)23(28)25-20-14-17(24)10-8-16(20)9-13-22(27)26-29/h2-14,29H,1H3,(H,25,28)(H,26,27)/b13-9+
InChIKeyIGDNSFJHXBPXPD-UKTHLTGXSA-N
XLogP5.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.87
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(1-methylpyrazol-4-yl)oxybenzamide
CID 122514183
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide
CID 130368938
3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
CID 78137725
5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
CID 60567457
2-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 60567369
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 4841709
2-chloro-N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2-methoxyphenyl]benzamide
CID 17117613

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide?
The IUPAC name of N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide (CID 122550447) is N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide.
What is the SMILES notation for N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide?
The canonical SMILES for N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide is Cc1ccc(Oc2ccccc2C(=O)Nc2cc(Cl)ccc2/C=C/C(=O)NO)cc1.
What is the InChIKey of N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide?
The InChIKey is IGDNSFJHXBPXPD-UKTHLTGXSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-15-6-11-18(12-7-15)30-21-5-3-2-4-19(21)23(28)25-20-14-17(24)10-8-16(20)9-13-22(27)26-29/h2-14,29H,1H3,(H,25,28)(H,26,27)/b13-9+.
What are the key properties of N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide?
N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide has a molecular weight of 422.87 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide is sourced from PubChem (CID 122550447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).