2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline

C14H11ClF2N2O — CID 4612061

IUPAC2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline
SMILESFC(F)Oc1ccccc1C=NNc1ccccc1Cl
InChIInChI=1S/C14H11ClF2N2O/c15-11-6-2-3-7-12(11)19-18-9-10-5-1-4-8-13(10)20-14(16)17/h1-9,14,19H
InChIKeySYPYMHZFPVUIOD-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.39
Rot. Bonds5

About 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline

2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline (PubChem CID 4612061) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline
PubChem CID4612061
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline
SMILESFC(F)Oc1ccccc1C=NNc1ccccc1Cl
InChIInChI=1S/C14H11ClF2N2O/c15-11-6-2-3-7-12(11)19-18-9-10-5-1-4-8-13(10)20-14(16)17/h1-9,14,19H
InChIKeySYPYMHZFPVUIOD-UHFFFAOYSA-N
XLogP4.39
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9069889
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
N-[[3-(difluoromethoxy)-2-fluorophenyl]methylideneamino]aniline
CID 169383711
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
4-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 2311169
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
CID 6011166
2-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676351
6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 4113380
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
1-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-ethylthiourea
CID 6301268
4-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6279235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline?
The IUPAC name of 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline (CID 4612061) is 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline is FC(F)Oc1ccccc1C=NNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline?
The InChIKey is SYPYMHZFPVUIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c15-11-6-2-3-7-12(11)19-18-9-10-5-1-4-8-13(10)20-14(16)17/h1-9,14,19H.
What are the key properties of 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline?
2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline has a molecular weight of 296.70 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 4612061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).