(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide

C15H14ClNO2 — CID 7944605

IUPAC(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-11(12-4-2-5-13(16)10-12)17-15(18)8-7-14-6-3-9-19-14/h2-11H,1H3,(H,17,18)/b8-7+/t11-/m0/s1
InChIKeyZMKMOGRGVJRVOE-AEZGRPFRSA-N
MW275.74 g/mol
LogP3.82
Rot. Bonds4

About (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 7944605) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID7944605
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-11(12-4-2-5-13(16)10-12)17-15(18)8-7-14-6-3-9-19-14/h2-11H,1H3,(H,17,18)/b8-7+/t11-/m0/s1
InChIKeyZMKMOGRGVJRVOE-AEZGRPFRSA-N
XLogP3.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.82
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

(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide
CID 18283459
(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide
CID 75407981
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
CID 7936596
(E)-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9092725
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
4-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-oxobut-2-enoic acid
CID 76905495
(E)-3-(furan-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 113246886
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide
CID 1007741

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide (CID 7944605) is (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is C[C@H](NC(=O)/C=C/c1ccco1)c1cccc(Cl)c1.
What is the InChIKey of (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ZMKMOGRGVJRVOE-AEZGRPFRSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-11(12-4-2-5-13(16)10-12)17-15(18)8-7-14-6-3-9-19-14/h2-11H,1H3,(H,17,18)/b8-7+/t11-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 275.74 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 7944605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).