3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one

C13H10ClNO2 — CID 91422079

IUPAC3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one
SMILESO=C(C/C=N/c1ccccc1Cl)c1ccco1
InChIInChI=1S/C13H10ClNO2/c14-10-4-1-2-5-11(10)15-8-7-12(16)13-6-3-9-17-13/h1-6,8-9H,7H2/b15-8+
InChIKeyDJMTVRJPGZITSB-OVCLIPMQSA-N
MW247.68 g/mol
LogP3.91
Rot. Bonds4

About 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one

3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one (PubChem CID 91422079) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one
PubChem CID91422079
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one
SMILESO=C(C/C=N/c1ccccc1Cl)c1ccco1
InChIInChI=1S/C13H10ClNO2/c14-10-4-1-2-5-11(10)15-8-7-12(16)13-6-3-9-17-13/h1-6,8-9H,7H2/b15-8+
InChIKeyDJMTVRJPGZITSB-OVCLIPMQSA-N
XLogP3.91
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
CID 886509
4-Chloro-N-(furfurylidene)aniline
CID 964631
2-{[(2-Chlorophenyl)amino]methylene}-4,4,4-trifluoro-1-(2-furyl)butane-1,3-dio ne
CID 135595038
N-(4-chlorophenyl)-1-(2-furanyl)methanimine oxide
CID 2891761
5-Formyl-2-furancarbaldehyd-p-chlorphenylimin
CID 12648082
N-(3-chlorophenyl)-1-(furan-2-yl)methanimine oxide
CID 135077777
(3E)-4,4,4-Trifluoro-1-(furan-2-yl)-3-(phenylimino)butan-1-one
CID 71374779
(E)-1-(2-furyl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one
CID 91896848
(E)-3-(3-chloro-4-fluoroanilino)-1-(2-furanyl)-2-propen-1-one
CID 91899512
(E)-3-(2,4-difluoroanilino)-1-(2-furanyl)-2-propen-1-one
CID 91899516
3-(2,4-Difluorophenylamino)-1-(5-methylfuran-2-yl)prop-2-en-1-one
CID 91933403
(Z)-3-[(2-chlorophenyl)iminomethyl]-1,1,1-trifluoro-4-(furan-2-yl)-4-hydroxybut-3-en-2-one
CID 135449870

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one (CID 91422079) is 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one is O=C(C/C=N/c1ccccc1Cl)c1ccco1.
What is the InChIKey of 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one?
The InChIKey is DJMTVRJPGZITSB-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-10-4-1-2-5-11(10)15-8-7-12(16)13-6-3-9-17-13/h1-6,8-9H,7H2/b15-8+.
What are the key properties of 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one?
3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one has a molecular weight of 247.68 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)imino-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 91422079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).