(E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide

C16H16ClNO3 — CID 71804425

IUPAC(E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCCC(O)c1ccoc1
InChIInChI=1S/C16H16ClNO3/c17-14-4-2-1-3-12(14)5-6-16(20)18-9-7-15(19)13-8-10-21-11-13/h1-6,8,10-11,15,19H,7,9H2,(H,18,20)/b6-5+
InChIKeyWZNRZKKSKMMSKA-AATRIKPKSA-N
MW305.76 g/mol
LogP3.19
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide (PubChem CID 71804425) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
PubChem CID71804425
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCCC(O)c1ccoc1
InChIInChI=1S/C16H16ClNO3/c17-14-4-2-1-3-12(14)5-6-16(20)18-9-7-15(19)13-8-10-21-11-13/h1-6,8,10-11,15,19H,7,9H2,(H,18,20)/b6-5+
InChIKeyWZNRZKKSKMMSKA-AATRIKPKSA-N
XLogP3.19
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 71804398
(E)-3-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)prop-2-enamide
CID 86264104
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719
(E)-3-(2-chlorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]prop-2-enamide
CID 86266725
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
(E)-3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide;hydrochloride
CID 19166685
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 97106233
1-[(4-chlorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106415

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide (CID 71804425) is (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NCCC(O)c1ccoc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide?
The InChIKey is WZNRZKKSKMMSKA-AATRIKPKSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-4-2-1-3-12(14)5-6-16(20)18-9-7-15(19)13-8-10-21-11-13/h1-6,8,10-11,15,19H,7,9H2,(H,18,20)/b6-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide has a molecular weight of 305.76 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide is sourced from PubChem (CID 71804425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).