(E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide

C20H22BrNO — CID 7974371

IUPAC(E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
SMILESCC(C)c1ccc(CCNC(=O)/C=C/c2cccc(Br)c2)cc1
InChIInChI=1S/C20H22BrNO/c1-15(2)18-9-6-16(7-10-18)12-13-22-20(23)11-8-17-4-3-5-19(21)14-17/h3-11,14-15H,12-13H2,1-2H3,(H,22,23)/b11-8+
InChIKeyFSNSHWNVOAQYKA-DHZHZOJOSA-N
MW372.31 g/mol
LogP4.94
Rot. Bonds6

About (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide

(E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide (PubChem CID 7974371) has the molecular formula C20H22BrNO and a molecular weight of 372.31 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
PubChem CID7974371
Molecular FormulaC20H22BrNO
Molecular Weight372.31 g/mol
Exact Mass371.09
IUPAC Name(E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
SMILESCC(C)c1ccc(CCNC(=O)/C=C/c2cccc(Br)c2)cc1
InChIInChI=1S/C20H22BrNO/c1-15(2)18-9-6-16(7-10-18)12-13-22-20(23)11-8-17-4-3-5-19(21)14-17/h3-11,14-15H,12-13H2,1-2H3,(H,22,23)/b11-8+
InChIKeyFSNSHWNVOAQYKA-DHZHZOJOSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.94
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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Related Compounds

(E)-3-(3-fluorophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 7916981
(E)-3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]prop-2-enamide
CID 83058983
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5141905
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6282757
4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-2-hydroxybutanoic acid
CID 114006206
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
3-[3-(3-bromophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113748
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715
(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 90355915
(E)-3-(3-bromophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636560
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2927461
(E)-3-(3-bromophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 2458192

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide (CID 7974371) is (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide is CC(C)c1ccc(CCNC(=O)/C=C/c2cccc(Br)c2)cc1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide?
The InChIKey is FSNSHWNVOAQYKA-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H22BrNO/c1-15(2)18-9-6-16(7-10-18)12-13-22-20(23)11-8-17-4-3-5-19(21)14-17/h3-11,14-15H,12-13H2,1-2H3,(H,22,23)/b11-8+.
What are the key properties of (E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide?
(E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide has a molecular weight of 372.31 g/mol, XLogP of 4.94, 6 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-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 7974371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).