3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea

C22H22N4O2 — CID 140895002

IUPAC3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
SMILESNNC(=O)c1ccc(CN(C(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c23-25-21(27)19-13-11-18(12-14-19)16-26(20-9-5-2-6-10-20)22(28)24-15-17-7-3-1-4-8-17/h1-14H,15-16,23H2,(H,24,28)(H,25,27)
InChIKeyYZRNDDAKBUNOGE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.21
Rot. Bonds6

About 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea

3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea (PubChem CID 140895002) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea.

Molecular Properties

Compound Name3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
PubChem CID140895002
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
SMILESNNC(=O)c1ccc(CN(C(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c23-25-21(27)19-13-11-18(12-14-19)16-26(20-9-5-2-6-10-20)22(28)24-15-17-7-3-1-4-8-17/h1-14H,15-16,23H2,(H,24,28)(H,25,27)
InChIKeyYZRNDDAKBUNOGE-UHFFFAOYSA-N
XLogP3.21
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-benzyl-3-[(3-fluorophenyl)methyl]-1-phenylurea
CID 108898536
1-benzyl-3-[(2-chlorophenyl)methyl]-1-phenylurea
CID 108897704
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584488
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
3-ethyl-1-phenyl-1-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]urea
CID 134584626
1-benzyl-3-(phenoxymethyl)-1-phenylurea
CID 108888948
4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584094
1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108974862

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea?
The IUPAC name of 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea (CID 140895002) is 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea.
What is the SMILES notation for 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea?
The canonical SMILES for 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea is NNC(=O)c1ccc(CN(C(=O)NCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea?
The InChIKey is YZRNDDAKBUNOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-25-21(27)19-13-11-18(12-14-19)16-26(20-9-5-2-6-10-20)22(28)24-15-17-7-3-1-4-8-17/h1-14H,15-16,23H2,(H,24,28)(H,25,27).
What are the key properties of 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea?
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea has a molecular weight of 374.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea is sourced from PubChem (CID 140895002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).