(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide

C17H16BrNO — CID 716253

IUPAC(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide
SMILESC[C@@H](NC(=O)/C(Br)=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16BrNO/c1-13(15-10-6-3-7-11-15)19-17(20)16(18)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,20)/b16-12-/t13-/m1/s1
InChIKeyGIPHXUNZIFRSGR-OPCAMPFDSA-N
MW330.23 g/mol
LogP4.30
Rot. Bonds4

About (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide

(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide (PubChem CID 716253) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide
PubChem CID716253
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide
SMILESC[C@@H](NC(=O)/C(Br)=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16BrNO/c1-13(15-10-6-3-7-11-15)19-17(20)16(18)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,20)/b16-12-/t13-/m1/s1
InChIKeyGIPHXUNZIFRSGR-OPCAMPFDSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.30
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)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 6247193
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
CID 2095128
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
(Z)-3-(3-bromophenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 40600136
2-[[4-(diethylamino)phenyl]methylidene]-N,N'-bis[(1R)-1-phenylethyl]propanediamide
CID 2375722
(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 18775922
2-[[4-(difluoromethoxy)phenyl]methylidene]-N,N'-bis(1-phenylethyl)propanediamide
CID 5001676
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide?
The IUPAC name of (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide (CID 716253) is (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide is C[C@@H](NC(=O)/C(Br)=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide?
The InChIKey is GIPHXUNZIFRSGR-OPCAMPFDSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-13(15-10-6-3-7-11-15)19-17(20)16(18)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,20)/b16-12-/t13-/m1/s1.
What are the key properties of (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide?
(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide has a molecular weight of 330.23 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 716253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).