(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide

C16H20BrNO — CID 2677304

IUPAC(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NCC1CCCCC1
InChIInChI=1S/C16H20BrNO/c17-15-8-4-7-13(11-15)9-10-16(19)18-12-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,18,19)/b10-9+
InChIKeyKWQSNWNWCQKYNG-MDZDMXLPSA-N
MW322.25 g/mol
LogP4.16
Rot. Bonds4

About (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide

(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide (PubChem CID 2677304) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide
PubChem CID2677304
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NCC1CCCCC1
InChIInChI=1S/C16H20BrNO/c17-15-8-4-7-13(11-15)9-10-16(19)18-12-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,18,19)/b10-9+
InChIKeyKWQSNWNWCQKYNG-MDZDMXLPSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide (CID 2677304) is (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide is O=C(/C=C/c1cccc(Br)c1)NCC1CCCCC1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide?
The InChIKey is KWQSNWNWCQKYNG-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H20BrNO/c17-15-8-4-7-13(11-15)9-10-16(19)18-12-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,18,19)/b10-9+.
What are the key properties of (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide?
(E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide has a molecular weight of 322.25 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-(cyclohexylmethyl)prop-2-enamide is sourced from PubChem (CID 2677304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).