1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea

C19H21ClN4O4 — CID 24559610

IUPAC1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea
SMILESCc1cc(OCC(=O)NNC(=O)CNC(=O)NCc2ccccc2)ccc1Cl
InChIInChI=1S/C19H21ClN4O4/c1-13-9-15(7-8-16(13)20)28-12-18(26)24-23-17(25)11-22-19(27)21-10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)(H2,21,22,27)
InChIKeyIEZOIWGGHUHBOH-UHFFFAOYSA-N
MW404.85 g/mol
LogP1.67
Rot. Bonds7

About 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea

1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea (PubChem CID 24559610) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea
PubChem CID24559610
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC Name1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea
SMILESCc1cc(OCC(=O)NNC(=O)CNC(=O)NCc2ccccc2)ccc1Cl
InChIInChI=1S/C19H21ClN4O4/c1-13-9-15(7-8-16(13)20)28-12-18(26)24-23-17(25)11-22-19(27)21-10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)(H2,21,22,27)
InChIKeyIEZOIWGGHUHBOH-UHFFFAOYSA-N
XLogP1.67
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
benzyl N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamate
CID 4935779
3-benzyl-1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-methylthiourea
CID 7978949
5-bromo-N-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538963
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea
CID 4922809
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 24631245

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea?
The IUPAC name of 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea (CID 24559610) is 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea is Cc1cc(OCC(=O)NNC(=O)CNC(=O)NCc2ccccc2)ccc1Cl.
What is the InChIKey of 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea?
The InChIKey is IEZOIWGGHUHBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-13-9-15(7-8-16(13)20)28-12-18(26)24-23-17(25)11-22-19(27)21-10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)(H2,21,22,27).
What are the key properties of 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea?
1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea has a molecular weight of 404.85 g/mol, XLogP of 1.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]urea is sourced from PubChem (CID 24559610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).