2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

C16H15ClN4O3 — CID 136863892

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccccc1O
InChIInChI=1S/C16H15ClN4O3/c17-12-5-3-6-13(8-12)20-16(24)18-10-15(23)21-19-9-11-4-1-2-7-14(11)22/h1-9,22H,10H2,(H,21,23)(H2,18,20,24)/b19-9-
InChIKeyWJRBUEKZJFUHSM-OCKHKDLRSA-N
MW346.77 g/mol
LogP2.32
Rot. Bonds5

About 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136863892) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136863892
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccccc1O
InChIInChI=1S/C16H15ClN4O3/c17-12-5-3-6-13(8-12)20-16(24)18-10-15(23)21-19-9-11-4-1-2-7-14(11)22/h1-9,22H,10H2,(H,21,23)(H2,18,20,24)/b19-9-
InChIKeyWJRBUEKZJFUHSM-OCKHKDLRSA-N
XLogP2.32
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491245
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide
CID 136863891
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 3656052
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136773677
N-[2-[(2Z)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 136822697
2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135533730
2-[(3-chlorophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110370543
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 135479503
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]urea
CID 137303958

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 136863892) is 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CNC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccccc1O.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is WJRBUEKZJFUHSM-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c17-12-5-3-6-13(8-12)20-16(24)18-10-15(23)21-19-9-11-4-1-2-7-14(11)22/h1-9,22H,10H2,(H,21,23)(H2,18,20,24)/b19-9-.
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 346.77 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136863892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).