(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide

C9H10ClN3O2 — CID 5371621

IUPAC(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1ccc(Cl)cc1)=N\O
InChIInChI=1S/C9H10ClN3O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14)
InChIKeyBNRCGWOSLOTALI-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.41
Rot. Bonds3

About (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide (PubChem CID 5371621) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
PubChem CID5371621
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1ccc(Cl)cc1)=N\O
InChIInChI=1S/C9H10ClN3O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14)
InChIKeyBNRCGWOSLOTALI-UHFFFAOYSA-N
XLogP1.41
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 76949808
2-amino-N-(4-chlorophenyl)-2-hydroxyiminoacetamide
CID 6846906
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 2764778
1-(3-amino-3-hydroxyiminopropyl)-3-(4-chlorophenyl)-1-propan-2-ylurea
CID 76911457
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
[amino-[2-(4-chloroanilino)-2-oxoethyl]sulfanylmethylidene]azanium
CID 2113962
4-[[amino(anilino)methylidene]amino]-N-(4-chlorophenyl)butanamide
CID 110926197
(3E)-3-amino-N-(2-chloro-5-fluorophenyl)-3-hydroxyiminopropanamide
CID 107530741
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide (CID 5371621) is (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide is N/C(CC(=O)Nc1ccc(Cl)cc1)=N\O.
What is the InChIKey of (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide?
The InChIKey is BNRCGWOSLOTALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14).
What are the key properties of (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide has a molecular weight of 227.65 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 5371621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).