N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide

C12H14Cl2N2O2 — CID 176887969

IUPACN-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide
SMILESCOc1c(Cl)cccc1C(=NNC=O)C(C)(C)Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2,14)11(16-15-7-17)8-5-4-6-9(13)10(8)18-3/h4-7H,1-3H3,(H,15,17)
InChIKeyPDQQIFDLVJWCRX-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.82
Rot. Bonds5

About N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide

N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide (PubChem CID 176887969) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide.

Molecular Properties

Compound NameN-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide
PubChem CID176887969
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide
SMILESCOc1c(Cl)cccc1C(=NNC=O)C(C)(C)Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2,14)11(16-15-7-17)8-5-4-6-9(13)10(8)18-3/h4-7H,1-3H3,(H,15,17)
InChIKeyPDQQIFDLVJWCRX-UHFFFAOYSA-N
XLogP2.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide?
The IUPAC name of N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide (CID 176887969) is N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide.
What is the SMILES notation for N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide?
The canonical SMILES for N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide is COc1c(Cl)cccc1C(=NNC=O)C(C)(C)Cl.
What is the InChIKey of N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide?
The InChIKey is PDQQIFDLVJWCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-12(2,14)11(16-15-7-17)8-5-4-6-9(13)10(8)18-3/h4-7H,1-3H3,(H,15,17).
What are the key properties of N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide?
N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide has a molecular weight of 289.16 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide is sourced from PubChem (CID 176887969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).