N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

C19H14ClFN4O2 — CID 9418577

IUPACN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H14ClFN4O2/c20-14-3-1-2-13(10-14)4-9-18(26)23-24-19(27)17-11-22-12-25(17)16-7-5-15(21)6-8-16/h1-12H,(H,23,26)(H,24,27)/b9-4+
InChIKeyYITYZSAMUNJWCX-RUDMXATFSA-N
MW384.80 g/mol
LogP3.14
Rot. Bonds4

About N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide (PubChem CID 9418577) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
PubChem CID9418577
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC NameN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H14ClFN4O2/c20-14-3-1-2-13(10-14)4-9-18(26)23-24-19(27)17-11-22-12-25(17)16-7-5-15(21)6-8-16/h1-12H,(H,23,26)(H,24,27)/b9-4+
InChIKeyYITYZSAMUNJWCX-RUDMXATFSA-N
XLogP3.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-N'-[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]imidazole-4-carbohydrazide
CID 9418537
N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418559
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 56504294
(E)-3-(3-chlorophenyl)-N'-[2-(4-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 8880097
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24638289
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide
CID 39983929
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide (CID 9418577) is N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide is O=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The InChIKey is YITYZSAMUNJWCX-RUDMXATFSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c20-14-3-1-2-13(10-14)4-9-18(26)23-24-19(27)17-11-22-12-25(17)16-7-5-15(21)6-8-16/h1-12H,(H,23,26)(H,24,27)/b9-4+.
What are the key properties of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide has a molecular weight of 384.80 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 9418577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).