(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide

C20H19ClFNO3 — CID 60576018

IUPAC(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C20H19ClFNO3/c21-15-7-8-19(26-13-17-5-2-10-25-17)18(12-15)23-20(24)9-6-14-3-1-4-16(22)11-14/h1,3-4,6-9,11-12,17H,2,5,10,13H2,(H,23,24)/b9-6+
InChIKeyIEDSIAQMNZHKMP-RMKNXTFCSA-N
MW375.83 g/mol
LogP4.69
Rot. Bonds6

About (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide

(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 60576018) has the molecular formula C20H19ClFNO3 and a molecular weight of 375.83 g/mol. Its IUPAC name is (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID60576018
Molecular FormulaC20H19ClFNO3
Molecular Weight375.83 g/mol
Exact Mass375.10
IUPAC Name(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C20H19ClFNO3/c21-15-7-8-19(26-13-17-5-2-10-25-17)18(12-15)23-20(24)9-6-14-3-1-4-16(22)11-14/h1,3-4,6-9,11-12,17H,2,5,10,13H2,(H,23,24)/b9-6+
InChIKeyIEDSIAQMNZHKMP-RMKNXTFCSA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 76869524
(E)-3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 134048019
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 76869519
(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 60576211
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
CID 102561239
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
CID 120589868
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide (CID 60576018) is (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1cc(Cl)ccc1OCC1CCCO1.
What is the InChIKey of (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is IEDSIAQMNZHKMP-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H19ClFNO3/c21-15-7-8-19(26-13-17-5-2-10-25-17)18(12-15)23-20(24)9-6-14-3-1-4-16(22)11-14/h1,3-4,6-9,11-12,17H,2,5,10,13H2,(H,23,24)/b9-6+.
What are the key properties of (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 375.83 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 60576018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).