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

C12H15ClN2O2 — CID 176887992

IUPACN-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide
SMILESCOc1c(Cl)cccc1C(=NNC=O)C(C)C
InChIInChI=1S/C12H15ClN2O2/c1-8(2)11(15-14-7-16)9-5-4-6-10(13)12(9)17-3/h4-8H,1-3H3,(H,14,16)
InChIKeyWZWZVSNDTFUWAB-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.45
Rot. Bonds5

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

N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide (PubChem CID 176887992) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide
PubChem CID176887992
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide
SMILESCOc1c(Cl)cccc1C(=NNC=O)C(C)C
InChIInChI=1S/C12H15ClN2O2/c1-8(2)11(15-14-7-16)9-5-4-6-10(13)12(9)17-3/h4-8H,1-3H3,(H,14,16)
InChIKeyWZWZVSNDTFUWAB-UHFFFAOYSA-N
XLogP2.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide?
The IUPAC name of N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide (CID 176887992) is N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide.
What is the SMILES notation for N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide?
The canonical SMILES for N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide is COc1c(Cl)cccc1C(=NNC=O)C(C)C.
What is the InChIKey of N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide?
The InChIKey is WZWZVSNDTFUWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(2)11(15-14-7-16)9-5-4-6-10(13)12(9)17-3/h4-8H,1-3H3,(H,14,16).
What are the key properties of N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide?
N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide has a molecular weight of 254.72 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-2-methoxyphenyl)-2-methylpropylidene]amino]formamide is sourced from PubChem (CID 176887992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).