3-[(2-chlorophenyl)methylideneamino]chromen-2-one

C16H10ClNO2 — CID 15930947

IUPAC3-[(2-chlorophenyl)methylideneamino]chromen-2-one
SMILESO=c1oc2ccccc2cc1/N=C/c1ccccc1Cl
InChIInChI=1S/C16H10ClNO2/c17-13-7-3-1-6-12(13)10-18-14-9-11-5-2-4-8-15(11)20-16(14)19/h1-10H/b18-10+
InChIKeyRGIQGOKLOKWZHK-VCHYOVAHSA-N
MW283.71 g/mol
LogP4.20
Rot. Bonds2

About 3-[(2-chlorophenyl)methylideneamino]chromen-2-one

3-[(2-chlorophenyl)methylideneamino]chromen-2-one (PubChem CID 15930947) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylideneamino]chromen-2-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylideneamino]chromen-2-one
PubChem CID15930947
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name3-[(2-chlorophenyl)methylideneamino]chromen-2-one
SMILESO=c1oc2ccccc2cc1/N=C/c1ccccc1Cl
InChIInChI=1S/C16H10ClNO2/c17-13-7-3-1-6-12(13)10-18-14-9-11-5-2-4-8-15(11)20-16(14)19/h1-10H/b18-10+
InChIKeyRGIQGOKLOKWZHK-VCHYOVAHSA-N
XLogP4.20
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(2-chlorophenyl)methylideneamino]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chlorophenyl)methylideneamino]chromen-2-one
CID 15930944
3-[(4-fluorophenyl)methylideneamino]chromen-2-one
CID 15930943
3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one
CID 71419783
3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one
CID 5285743
7-(diethylamino)-3-[(2-hydroxyphenyl)methylideneamino]chromen-2-one
CID 136745134
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 53375224
3-(trichloromethyl)chromen-2-one
CID 90255631
N-(5-chloro-2-methylphenyl)-1-(2-chlorophenyl)methanimine
CID 4191286
3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 5082597
1-(3-chloronaphthalen-2-yl)-N-[2-[(3-chloronaphthalen-2-yl)methylideneamino]phenyl]methanimine
CID 10766095
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylideneamino]chromen-2-one?
The IUPAC name of 3-[(2-chlorophenyl)methylideneamino]chromen-2-one (CID 15930947) is 3-[(2-chlorophenyl)methylideneamino]chromen-2-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylideneamino]chromen-2-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylideneamino]chromen-2-one is O=c1oc2ccccc2cc1/N=C/c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylideneamino]chromen-2-one?
The InChIKey is RGIQGOKLOKWZHK-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-13-7-3-1-6-12(13)10-18-14-9-11-5-2-4-8-15(11)20-16(14)19/h1-10H/b18-10+.
What are the key properties of 3-[(2-chlorophenyl)methylideneamino]chromen-2-one?
3-[(2-chlorophenyl)methylideneamino]chromen-2-one has a molecular weight of 283.71 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylideneamino]chromen-2-one is sourced from PubChem (CID 15930947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).