N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide

C16H12BrClN2O2 — CID 9475460

IUPACN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
SMILESO=C(/C=C/c1ccc(Br)cc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12BrClN2O2/c17-13-7-4-11(5-8-13)6-9-15(21)19-20-16(22)12-2-1-3-14(18)10-12/h1-10H,(H,19,21)(H,20,22)/b9-6+
InChIKeyJHUSJSJXVKQGHV-RMKNXTFCSA-N
MW379.64 g/mol
LogP3.58
Rot. Bonds3

About N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide

N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide (PubChem CID 9475460) has the molecular formula C16H12BrClN2O2 and a molecular weight of 379.64 g/mol. Its IUPAC name is N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
PubChem CID9475460
Molecular FormulaC16H12BrClN2O2
Molecular Weight379.64 g/mol
Exact Mass377.98
IUPAC NameN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
SMILESO=C(/C=C/c1ccc(Br)cc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12BrClN2O2/c17-13-7-4-11(5-8-13)6-9-15(21)19-20-16(22)12-2-1-3-14(18)10-12/h1-10H,(H,19,21)(H,20,22)/b9-6+
InChIKeyJHUSJSJXVKQGHV-RMKNXTFCSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.58
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

3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9475643
N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475553
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 26184751
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 5184026
3-chloro-N'-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]benzohydrazide
CID 9428053
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
3-chloro-N'-[3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]benzohydrazide
CID 4806020
3-chloro-N'-[(E)-3-phenylsulfanylprop-2-enoyl]benzohydrazide
CID 9086685
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479090

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide (CID 9475460) is N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide is O=C(/C=C/c1ccc(Br)cc1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide?
The InChIKey is JHUSJSJXVKQGHV-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H12BrClN2O2/c17-13-7-4-11(5-8-13)6-9-15(21)19-20-16(22)12-2-1-3-14(18)10-12/h1-10H,(H,19,21)(H,20,22)/b9-6+.
What are the key properties of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide?
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide has a molecular weight of 379.64 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide is sourced from PubChem (CID 9475460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).