(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide

C14H16BrNO2 — CID 83202500

IUPAC(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)NOC1CCCC1
InChIInChI=1S/C14H16BrNO2/c15-13-8-4-1-5-11(13)9-10-14(17)16-18-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,16,17)/b10-9+
InChIKeySWHRPCKIEDQJTP-MDZDMXLPSA-N
MW310.19 g/mol
LogP3.45
Rot. Bonds4

About (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide

(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide (PubChem CID 83202500) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
PubChem CID83202500
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)NOC1CCCC1
InChIInChI=1S/C14H16BrNO2/c15-13-8-4-1-5-11(13)9-10-14(17)16-18-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,16,17)/b10-9+
InChIKeySWHRPCKIEDQJTP-MDZDMXLPSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide
CID 83202100
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
(E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide
CID 83235404
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
(E)-3-(2-bromophenyl)-N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106123126
(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide
CID 83202117
(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
CID 18170609
3-bromo-N-cyclopentyloxy-2-fluorobenzamide
CID 106544780
(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
CID 83202528
3-(3-bromo-2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 61392069
(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide
CID 142584939

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide (CID 83202500) is (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide is O=C(/C=C/c1ccccc1Br)NOC1CCCC1.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide?
The InChIKey is SWHRPCKIEDQJTP-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H16BrNO2/c15-13-8-4-1-5-11(13)9-10-14(17)16-18-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,16,17)/b10-9+.
What are the key properties of (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide?
(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide has a molecular weight of 310.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide is sourced from PubChem (CID 83202500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).