(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide

C15H14ClNO2 — CID 2673717

IUPAC(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)/C=C/c2ccco2)c(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-10-8-11(2)15(13(16)9-10)17-14(18)6-5-12-4-3-7-19-12/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKeyFECKSHJPLBDGQS-AATRIKPKSA-N
MW275.74 g/mol
LogP4.20
Rot. Bonds3

About (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 2673717) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID2673717
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)/C=C/c2ccco2)c(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-10-8-11(2)15(13(16)9-10)17-14(18)6-5-12-4-3-7-19-12/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKeyFECKSHJPLBDGQS-AATRIKPKSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880816
(E)-N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880817
4-(2-chloro-4,6-dimethylanilino)-4-oxobut-2-enoic acid
CID 1238732
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide
CID 18278830
(E)-N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 1345270
(E)-3-(furan-2-yl)-N-[(2,4,6-trichlorophenyl)carbamothioyl]prop-2-enamide
CID 1040010
3-(furan-2-yl)-N-[(2,4,6-trichlorophenyl)carbamothioyl]prop-2-enamide
CID 1040009
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2506506
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689
N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 731582
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 731583

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide (CID 2673717) is (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide is Cc1cc(C)c(NC(=O)/C=C/c2ccco2)c(Cl)c1.
What is the InChIKey of (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is FECKSHJPLBDGQS-AATRIKPKSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-8-11(2)15(13(16)9-10)17-14(18)6-5-12-4-3-7-19-12/h3-9H,1-2H3,(H,17,18)/b6-5+.
What are the key properties of (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 275.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2673717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).