1-(2-azidoethyl)-3-(3-chlorophenyl)urea

C9H10ClN5O — CID 61342512

IUPAC1-(2-azidoethyl)-3-(3-chlorophenyl)urea
SMILES[N-]=[N+]=NCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H10ClN5O/c10-7-2-1-3-8(6-7)14-9(16)12-4-5-13-15-11/h1-3,6H,4-5H2,(H2,12,14,16)
InChIKeyJBFBJQVTFOVHNY-UHFFFAOYSA-N
MW239.67 g/mol
LogP2.77
Rot. Bonds4

About 1-(2-azidoethyl)-3-(3-chlorophenyl)urea

1-(2-azidoethyl)-3-(3-chlorophenyl)urea (PubChem CID 61342512) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-(3-chlorophenyl)urea
PubChem CID61342512
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name1-(2-azidoethyl)-3-(3-chlorophenyl)urea
SMILES[N-]=[N+]=NCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H10ClN5O/c10-7-2-1-3-8(6-7)14-9(16)12-4-5-13-15-11/h1-3,6H,4-5H2,(H2,12,14,16)
InChIKeyJBFBJQVTFOVHNY-UHFFFAOYSA-N
XLogP2.77
TPSA89.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-azidoethyl)-3-(3-nitrophenyl)urea
CID 61343252
1-(4-azidobutyl)-3-(3-fluorophenyl)urea
CID 106386930
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]urea
CID 126413305

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(2-azidoethyl)-3-(3-chlorophenyl)urea (CID 61342512) is 1-(2-azidoethyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(2-azidoethyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(2-azidoethyl)-3-(3-chlorophenyl)urea is [N-]=[N+]=NCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(2-azidoethyl)-3-(3-chlorophenyl)urea?
The InChIKey is JBFBJQVTFOVHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c10-7-2-1-3-8(6-7)14-9(16)12-4-5-13-15-11/h1-3,6H,4-5H2,(H2,12,14,16).
What are the key properties of 1-(2-azidoethyl)-3-(3-chlorophenyl)urea?
1-(2-azidoethyl)-3-(3-chlorophenyl)urea has a molecular weight of 239.67 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 61342512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).