1-[(3-chlorophenyl)methyl]-1-hydroxyurea

C8H9ClN2O2 — CID 134087459

IUPAC1-[(3-chlorophenyl)methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c9-7-3-1-2-6(4-7)5-11(13)8(10)12/h1-4,13H,5H2,(H2,10,12)
InChIKeyCLIWCYFLZCQNPE-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.61
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-1-hydroxyurea

1-[(3-chlorophenyl)methyl]-1-hydroxyurea (PubChem CID 134087459) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-1-hydroxyurea
PubChem CID134087459
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name1-[(3-chlorophenyl)methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c9-7-3-1-2-6(4-7)5-11(13)8(10)12/h1-4,13H,5H2,(H2,10,12)
InChIKeyCLIWCYFLZCQNPE-UHFFFAOYSA-N
XLogP1.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[3-(3-chlorophenyl)-1-hydroxyprop-2-ynyl]phenyl]methyl]-1-hydroxyurea
CID 19018192
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
CID 54871050
N-amino-N-[(3-chlorophenyl)methyl]formamide
CID 87961118
1-[[4-[3-[4-[[carbamoyl(hydroxy)amino]methyl]phenoxy]-5-chlorophenoxy]phenyl]methyl]-1-hydroxyurea
CID 54414474
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate
CID 66337674
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-1-hydroxyurea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-1-hydroxyurea (CID 134087459) is 1-[(3-chlorophenyl)methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-1-hydroxyurea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-1-hydroxyurea is NC(=O)N(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-1-hydroxyurea?
The InChIKey is CLIWCYFLZCQNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-7-3-1-2-6(4-7)5-11(13)8(10)12/h1-4,13H,5H2,(H2,10,12).
What are the key properties of 1-[(3-chlorophenyl)methyl]-1-hydroxyurea?
1-[(3-chlorophenyl)methyl]-1-hydroxyurea has a molecular weight of 200.63 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-1-hydroxyurea is sourced from PubChem (CID 134087459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).