[1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea

C24H23ClN4O4 — CID 24637062

IUPAC[1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESNC(=O)NC(Cc1ccccc1)C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClN4O4/c25-19-10-12-20(13-11-19)33-15-17-6-8-18(9-7-17)22(30)28-29-23(31)21(27-24(26)32)14-16-4-2-1-3-5-16/h1-13,21H,14-15H2,(H,28,30)(H,29,31)(H3,26,27,32)
InChIKeyOFTXUGVMOGCRFK-UHFFFAOYSA-N
MW466.93 g/mol
LogP2.96
Rot. Bonds8

About [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea

[1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 24637062) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID24637062
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC Name[1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESNC(=O)NC(Cc1ccccc1)C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClN4O4/c25-19-10-12-20(13-11-19)33-15-17-6-8-18(9-7-17)22(30)28-29-23(31)21(27-24(26)32)14-16-4-2-1-3-5-16/h1-13,21H,14-15H2,(H,28,30)(H,29,31)(H3,26,27,32)
InChIKeyOFTXUGVMOGCRFK-UHFFFAOYSA-N
XLogP2.96
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-[2-[[2-(carbamoylamino)-3-phenylpropanoyl]amino]ethyl]-4-chlorobenzamide
CID 86921350
2-[[6-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677412
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
benzyl N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55942547
N'-(2,2-diphenylacetyl)-4-phenylmethoxybenzohydrazide
CID 4933138
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(tetrazol-1-yl)benzoyl]hydrazinyl]propan-2-yl]benzamide
CID 55937325
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (CID 24637062) is [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is NC(=O)NC(Cc1ccccc1)C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is OFTXUGVMOGCRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c25-19-10-12-20(13-11-19)33-15-17-6-8-18(9-7-17)22(30)28-29-23(31)21(27-24(26)32)14-16-4-2-1-3-5-16/h1-13,21H,14-15H2,(H,28,30)(H,29,31)(H3,26,27,32).
What are the key properties of [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
[1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 466.93 g/mol, XLogP of 2.96, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 24637062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).