1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea

C13H11ClN4O2 — CID 170856312

IUPAC1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea
SMILESO=C(N/C(=N\O)c1ccncc1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4O2/c14-10-2-1-3-11(8-10)16-13(19)17-12(18-20)9-4-6-15-7-5-9/h1-8,20H,(H2,16,17,18,19)
InChIKeyHZPKAKVDZLCSJN-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.69
Rot. Bonds2

About 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea

1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea (PubChem CID 170856312) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea
PubChem CID170856312
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea
SMILESO=C(N/C(=N\O)c1ccncc1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4O2/c14-10-2-1-3-11(8-10)16-13(19)17-12(18-20)9-4-6-15-7-5-9/h1-8,20H,(H2,16,17,18,19)
InChIKeyHZPKAKVDZLCSJN-UHFFFAOYSA-N
XLogP2.69
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline
CID 4224641
4-[(3-chlorophenyl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992132
CID 73055968
CID 73055968
CID 168763640
CID 168763640
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77001317
1-(3-chlorophenyl)-3-imidazo[1,2-a]pyridin-8-ylurea
CID 110749184
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
6-[(3-chlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447317

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea (CID 170856312) is 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea is O=C(N/C(=N\O)c1ccncc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea?
The InChIKey is HZPKAKVDZLCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-10-2-1-3-11(8-10)16-13(19)17-12(18-20)9-4-6-15-7-5-9/h1-8,20H,(H2,16,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea?
1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea has a molecular weight of 290.71 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea is sourced from PubChem (CID 170856312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).