3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide

C16H13ClN2O2 — CID 2166903

IUPAC3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
SMILESO=C(/C=C\c1ccccc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c17-14-8-4-7-13(11-14)16(21)19-18-15(20)10-9-12-5-2-1-3-6-12/h1-11H,(H,18,20)(H,19,21)/b10-9-
InChIKeyOPNCFIDKNZXPFS-KTKRTIGZSA-N
MW300.75 g/mol
LogP2.81
Rot. Bonds3

About 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide

3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide (PubChem CID 2166903) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
PubChem CID2166903
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
SMILESO=C(/C=C\c1ccccc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c17-14-8-4-7-13(11-14)16(21)19-18-15(20)10-9-12-5-2-1-3-6-12/h1-11H,(H,18,20)(H,19,21)/b10-9-
InChIKeyOPNCFIDKNZXPFS-KTKRTIGZSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475460
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9475643
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
3-chloro-N'-[(E)-3-phenylsulfanylprop-2-enoyl]benzohydrazide
CID 9086685
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 92859984
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 26184751
N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475553
3-chloro-N'-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]benzohydrazide
CID 9428053
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314822

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide (CID 2166903) is 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide is O=C(/C=C\c1ccccc1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide?
The InChIKey is OPNCFIDKNZXPFS-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-14-8-4-7-13(11-14)16(21)19-18-15(20)10-9-12-5-2-1-3-6-12/h1-11H,(H,18,20)(H,19,21)/b10-9-.
What are the key properties of 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide?
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide has a molecular weight of 300.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 2166903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).