1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride

C19H24Cl3N5O4 — CID 69059363

IUPAC1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride
SMILESCl.NNC(=O)c1coc(CNC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)c1
InChIInChI=1S/C19H23Cl2N5O4.ClH/c20-16-2-1-12(5-17(16)21)9-26-3-4-29-15(10-26)8-24-19(28)23-7-14-6-13(11-30-14)18(27)25-22;/h1-2,5-6,11,15H,3-4,7-10,22H2,(H,25,27)(H2,23,24,28);1H
InChIKeyKDICWNXUQADMTF-UHFFFAOYSA-N
MW492.79 g/mol
LogP2.31
Rot. Bonds7

About 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride

1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride (PubChem CID 69059363) has the molecular formula C19H24Cl3N5O4 and a molecular weight of 492.79 g/mol. Its IUPAC name is 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride
PubChem CID69059363
Molecular FormulaC19H24Cl3N5O4
Molecular Weight492.79 g/mol
Exact Mass491.09
IUPAC Name1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride
SMILESCl.NNC(=O)c1coc(CNC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)c1
InChIInChI=1S/C19H23Cl2N5O4.ClH/c20-16-2-1-12(5-17(16)21)9-26-3-4-29-15(10-26)8-24-19(28)23-7-14-6-13(11-30-14)18(27)25-22;/h1-2,5-6,11,15H,3-4,7-10,22H2,(H,25,27)(H2,23,24,28);1H
InChIKeyKDICWNXUQADMTF-UHFFFAOYSA-N
XLogP2.31
TPSA121.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.79
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-prop-2-enylurea
CID 10109024
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-hydroxy-4-oxopyran-2-yl)acetamide
CID 142811416
5-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-2-fluorobenzoic acid
CID 142811298
1-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]urea
CID 69058634
1-cyclohexyl-3-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]urea
CID 10272298
1-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2-propan-2-yltetrazol-5-yl)methyl]urea
CID 10433446
1-[[4-(benzenesulfonamido)phenyl]methyl]-3-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]urea;dihydrate
CID 69068169
1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea
CID 10278623
4-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-ethylpiperidine-1-carboxamide
CID 10174267
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 142811336
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylbenzamide
CID 59009090
2-(4-aminophenyl)sulfanyl-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 67168644

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride?
The IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride (CID 69059363) is 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride.
What is the SMILES notation for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride?
The canonical SMILES for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride is Cl.NNC(=O)c1coc(CNC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)c1.
What is the InChIKey of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride?
The InChIKey is KDICWNXUQADMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O4.ClH/c20-16-2-1-12(5-17(16)21)9-26-3-4-29-15(10-26)8-24-19(28)23-7-14-6-13(11-30-14)18(27)25-22;/h1-2,5-6,11,15H,3-4,7-10,22H2,(H,25,27)(H2,23,24,28);1H.
What are the key properties of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride?
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride has a molecular weight of 492.79 g/mol, XLogP of 2.31, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride is sourced from PubChem (CID 69059363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).