3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one

C16H13Cl2NO2 — CID 2885993

IUPAC3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccc(Cl)cc2Cl)CC(c2ccco2)C1
InChIInChI=1S/C16H13Cl2NO2/c17-11-3-4-15(14(18)8-11)19-12-6-10(7-13(20)9-12)16-2-1-5-21-16/h1-5,8-10,19H,6-7H2
InChIKeyMKRVMPJGFCWINB-UHFFFAOYSA-N
MW322.19 g/mol
LogP5.03
Rot. Bonds3

About 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one

3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (PubChem CID 2885993) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
PubChem CID2885993
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccc(Cl)cc2Cl)CC(c2ccco2)C1
InChIInChI=1S/C16H13Cl2NO2/c17-11-3-4-15(14(18)8-11)19-12-6-10(7-13(20)9-12)16-2-1-5-21-16/h1-5,8-10,19H,6-7H2
InChIKeyMKRVMPJGFCWINB-UHFFFAOYSA-N
XLogP5.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.19
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AR420626
CID 91885415
N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
5-(Furan-2-yl)-3-[(4-hydroxyphenyl)amino]cyclohex-2-en-1-one
CID 2877975
3-(4-Ethylanilino)-5-(2-furyl)cyclohex-2-en-1-one
CID 2887084
(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 6079942
3-[(4-Ethoxyphenyl)amino]-5-(2-furyl)cyclohex-2-en-1-one
CID 2886556
3-[(2-Aminophenyl)amino]-5-(2-furyl)-2-cyclohexen-1-one
CID 2945340
(2E)-N-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 790279
N-(2,4-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 959186
3-[(4-Chlorophenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one
CID 2901611
3-(3-Chloro-phenylamino)-5-furan-2-yl-cyclohex-2-enone
CID 2886782

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (CID 2885993) is 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is O=C1C=C(Nc2ccc(Cl)cc2Cl)CC(c2ccco2)C1.
What is the InChIKey of 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The InChIKey is MKRVMPJGFCWINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-11-3-4-15(14(18)8-11)19-12-6-10(7-13(20)9-12)16-2-1-5-21-16/h1-5,8-10,19H,6-7H2.
What are the key properties of 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one has a molecular weight of 322.19 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 2885993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).