(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

C19H19BrN2O2 — CID 9220038

IUPAC(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-14(16-9-5-6-10-17(16)20)22-19(24)13-21-18(23)12-11-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,21,23)(H,22,24)/b12-11+/t14-/m1/s1
InChIKeyNQFXIHCSYTZOEM-GCZGRYASSA-N
MW387.28 g/mol
LogP3.46
Rot. Bonds6

About (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 9220038) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID9220038
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-14(16-9-5-6-10-17(16)20)22-19(24)13-21-18(23)12-11-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,21,23)(H,22,24)/b12-11+/t14-/m1/s1
InChIKeyNQFXIHCSYTZOEM-GCZGRYASSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
CID 51333812
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7644254
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9368140
(2S)-2-amino-N-[2-[1-(2-bromophenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82963456
(E)-4-[1-(2-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 43402242
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914874
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 9220038) is (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is C[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccccc1Br.
What is the InChIKey of (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is NQFXIHCSYTZOEM-GCZGRYASSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-14(16-9-5-6-10-17(16)20)22-19(24)13-21-18(23)12-11-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,21,23)(H,22,24)/b12-11+/t14-/m1/s1.
What are the key properties of (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 387.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9220038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).