(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide

C16H15ClN2O2 — CID 91685535

IUPAC(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2/c17-15-7-2-1-5-13(15)11-21-14-6-3-4-12(10-14)8-9-16(20)19-18/h1-10H,11,18H2,(H,19,20)/b9-8+
InChIKeyMTANCATYGPPTOM-CMDGGOBGSA-N
MW302.76 g/mol
LogP2.92
Rot. Bonds5

About (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide

(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide (PubChem CID 91685535) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide
PubChem CID91685535
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2/c17-15-7-2-1-5-13(15)11-21-14-6-3-4-12(10-14)8-9-16(20)19-18/h1-10H,11,18H2,(H,19,20)/b9-8+
InChIKeyMTANCATYGPPTOM-CMDGGOBGSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
[[(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoyl]amino]thiourea
CID 102535052
ethyl (E)-3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685540
(E)-3-[3-bromo-4-[(2-bromophenyl)methoxy]-5-chlorophenyl]prop-2-enehydrazide
CID 91686120
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370994
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340663
methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245052
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060113
(E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91684795
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide (CID 91685535) is (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide is NNC(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide?
The InChIKey is MTANCATYGPPTOM-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-15-7-2-1-5-13(15)11-21-14-6-3-4-12(10-14)8-9-16(20)19-18/h1-10H,11,18H2,(H,19,20)/b9-8+.
What are the key properties of (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide?
(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide has a molecular weight of 302.76 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide is sourced from PubChem (CID 91685535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).