N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide

C14H11ClN2O2 — CID 6522385

IUPACN-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide
SMILESO=CNc1ccc(Cl)cc1/C(=N\O)c1ccccc1
InChIInChI=1S/C14H11ClN2O2/c15-11-6-7-13(16-9-18)12(8-11)14(17-19)10-4-2-1-3-5-10/h1-9,19H,(H,16,18)/b17-14-
InChIKeyLEDGZJDKMYJQHC-VKAVYKQESA-N
MW274.71 g/mol
LogP3.13
Rot. Bonds4

About N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide

N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide (PubChem CID 6522385) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide
PubChem CID6522385
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC NameN-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide
SMILESO=CNc1ccc(Cl)cc1/C(=N\O)c1ccccc1
InChIInChI=1S/C14H11ClN2O2/c15-11-6-7-13(16-9-18)12(8-11)14(17-19)10-4-2-1-3-5-10/h1-9,19H,(H,16,18)/b17-14-
InChIKeyLEDGZJDKMYJQHC-VKAVYKQESA-N
XLogP3.13
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]acetamide
CID 6163012
dimethyl (Z)-2-[4-chloro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]anilino]but-2-enedioate
CID 98261372
N-[4-chloro-2-(2-phenoxybenzoyl)phenyl]formamide
CID 88886136
4-chloro-2-[N-(2-chloroethyl)-C-phenylcarbonimidoyl]-N-methylaniline
CID 154269566
N-[4-chloro-2-(N-hydroxy-C-phenylcarbonimidoyl)phenyl]-2-dodecylbenzenesulfonamide
CID 154094629
4-chloro-2-formamidobenzoic acid
CID 61146469
N-(2-benzoyl-4-fluorophenyl)formamide
CID 168651173
N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine
CID 625564
N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide
CID 138563925
4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
CID 3627789
N-[(5-chloro-2-iodophenyl)-(2-chlorophenyl)methylidene]hydroxylamine
CID 71411533
N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide
CID 60606311

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide?
The IUPAC name of N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide (CID 6522385) is N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide.
What is the SMILES notation for N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide?
The canonical SMILES for N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide is O=CNc1ccc(Cl)cc1/C(=N\O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide?
The InChIKey is LEDGZJDKMYJQHC-VKAVYKQESA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-11-6-7-13(16-9-18)12(8-11)14(17-19)10-4-2-1-3-5-10/h1-9,19H,(H,16,18)/b17-14-.
What are the key properties of N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide?
N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide has a molecular weight of 274.71 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide is sourced from PubChem (CID 6522385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).