[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate

C19H14ClN3O2 — CID 5340619

IUPAC[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14ClN3O2/c20-15-9-6-10-16(13-15)22-19(24)25-23-18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13H,(H,22,24)/b23-18+
InChIKeyRFRJSRWNANFWNI-PTGBLXJZSA-N
MW351.79 g/mol
LogP4.74
Rot. Bonds4

About [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate

[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate (PubChem CID 5340619) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
PubChem CID5340619
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14ClN3O2/c20-15-9-6-10-16(13-15)22-19(24)25-23-18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13H,(H,22,24)/b23-18+
InChIKeyRFRJSRWNANFWNI-PTGBLXJZSA-N
XLogP4.74
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005029
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] N-octylcarbamate
CID 19918393
1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390
N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
CID 142699149
[[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 2821570
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate
CID 6896284
[(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate
CID 24753086
2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3534391

Frequently Asked Questions

What is the IUPAC name of [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate?
The IUPAC name of [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate (CID 5340619) is [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)O/N=C(\c1ccccc1)c1ccccn1.
What is the InChIKey of [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate?
The InChIKey is RFRJSRWNANFWNI-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-9-6-10-16(13-15)22-19(24)25-23-18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13H,(H,22,24)/b23-18+.
What are the key properties of [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate?
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate has a molecular weight of 351.79 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 5340619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).