(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

C19H18BrNO — CID 7919830

IUPAC(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H18BrNO/c20-16-8-3-5-14(13-16)11-12-19(22)21-18-10-4-7-15-6-1-2-9-17(15)18/h1-3,5-6,8-9,11-13,18H,4,7,10H2,(H,21,22)/b12-11+/t18-/m0/s1
InChIKeyCZTQPLOSXLKJBZ-DXRVJIQQSA-N
MW356.26 g/mol
LogP4.66
Rot. Bonds3

About (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (PubChem CID 7919830) has the molecular formula C19H18BrNO and a molecular weight of 356.26 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
PubChem CID7919830
Molecular FormulaC19H18BrNO
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H18BrNO/c20-16-8-3-5-14(13-16)11-12-19(22)21-18-10-4-7-15-6-1-2-9-17(15)18/h1-3,5-6,8-9,11-13,18H,4,7,10H2,(H,21,22)/b12-11+/t18-/m0/s1
InChIKeyCZTQPLOSXLKJBZ-DXRVJIQQSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.66
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-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423
(E)-3-(3-methoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2710172
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2449357
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 51281195
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919796
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 134030162
(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 8893313
(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919680
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 40834105
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-bromobenzoate
CID 2363460

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (CID 7919830) is (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is O=C(/C=C/c1cccc(Br)c1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The InChIKey is CZTQPLOSXLKJBZ-DXRVJIQQSA-N. The full InChI is InChI=1S/C19H18BrNO/c20-16-8-3-5-14(13-16)11-12-19(22)21-18-10-4-7-15-6-1-2-9-17(15)18/h1-3,5-6,8-9,11-13,18H,4,7,10H2,(H,21,22)/b12-11+/t18-/m0/s1.
What are the key properties of (E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide has a molecular weight of 356.26 g/mol, XLogP of 4.66, 3 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-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is sourced from PubChem (CID 7919830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).