[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate

C14H10ClF2N3O2 — CID 2823842

IUPAC[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
SMILESNC(=NOC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2N3O2/c15-8-1-4-10(5-2-8)19-14(21)22-20-13(18)11-6-3-9(16)7-12(11)17/h1-7H,(H2,18,20)(H,19,21)
InChIKeyPKSSXKLNUBSMBR-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.49
Rot. Bonds3

About [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate

[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate (PubChem CID 2823842) has the molecular formula C14H10ClF2N3O2 and a molecular weight of 325.70 g/mol. Its IUPAC name is [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
PubChem CID2823842
Molecular FormulaC14H10ClF2N3O2
Molecular Weight325.70 g/mol
Exact Mass325.04
IUPAC Name[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
SMILESNC(=NOC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2N3O2/c15-8-1-4-10(5-2-8)19-14(21)22-20-13(18)11-6-3-9(16)7-12(11)17/h1-7H,(H2,18,20)(H,19,21)
InChIKeyPKSSXKLNUBSMBR-UHFFFAOYSA-N
XLogP3.49
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.49
H-Bond Donors ≤ 52
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_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate?
The IUPAC name of [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate (CID 2823842) is [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate is NC(=NOC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate?
The InChIKey is PKSSXKLNUBSMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3O2/c15-8-1-4-10(5-2-8)19-14(21)22-20-13(18)11-6-3-9(16)7-12(11)17/h1-7H,(H2,18,20)(H,19,21).
What are the key properties of [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate?
[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate has a molecular weight of 325.70 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 2823842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).