[3-(chloroamino)phenyl]urea

C7H8ClN3O — CID 155328094

IUPAC[3-(chloroamino)phenyl]urea
SMILESNC(=O)Nc1cccc(NCl)c1
InChIInChI=1S/C7H8ClN3O/c8-11-6-3-1-2-5(4-6)10-7(9)12/h1-4,11H,(H3,9,10,12)
InChIKeyKRZCEMVOQVSUJJ-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.74
Rot. Bonds2

About [3-(chloroamino)phenyl]urea

[3-(chloroamino)phenyl]urea (PubChem CID 155328094) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is [3-(chloroamino)phenyl]urea.

Molecular Properties

Compound Name[3-(chloroamino)phenyl]urea
PubChem CID155328094
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name[3-(chloroamino)phenyl]urea
SMILESNC(=O)Nc1cccc(NCl)c1
InChIInChI=1S/C7H8ClN3O/c8-11-6-3-1-2-5(4-6)10-7(9)12/h1-4,11H,(H3,9,10,12)
InChIKeyKRZCEMVOQVSUJJ-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(chloroamino)phenyl]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

[3-(methylamino)phenyl]urea
CID 23558981
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
(3-chlorophenyl)urea;1,2-xylene
CID 70502289
[3-(prop-2-ynylamino)phenyl]urea
CID 63951484
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
CID 54868224
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546

Frequently Asked Questions

What is the IUPAC name of [3-(chloroamino)phenyl]urea?
The IUPAC name of [3-(chloroamino)phenyl]urea (CID 155328094) is [3-(chloroamino)phenyl]urea.
What is the SMILES notation for [3-(chloroamino)phenyl]urea?
The canonical SMILES for [3-(chloroamino)phenyl]urea is NC(=O)Nc1cccc(NCl)c1.
What is the InChIKey of [3-(chloroamino)phenyl]urea?
The InChIKey is KRZCEMVOQVSUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-11-6-3-1-2-5(4-6)10-7(9)12/h1-4,11H,(H3,9,10,12).
What are the key properties of [3-(chloroamino)phenyl]urea?
[3-(chloroamino)phenyl]urea has a molecular weight of 185.61 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloroamino)phenyl]urea is sourced from PubChem (CID 155328094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).