(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide

C19H20BrNO — CID 1001333

IUPAC(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
SMILESC[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C19H20BrNO/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-11-17-9-12-18(20)13-10-17/h2-6,9-15H,7-8H2,1H3,(H,21,22)/b14-11+/t15-/m1/s1
InChIKeyBFOCQKCKZSTXLA-ATGUSINASA-N
MW358.28 g/mol
LogP4.60
Rot. Bonds6

About (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide

(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide (PubChem CID 1001333) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
PubChem CID1001333
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
SMILESC[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C19H20BrNO/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-11-17-9-12-18(20)13-10-17/h2-6,9-15H,7-8H2,1H3,(H,21,22)/b14-11+/t15-/m1/s1
InChIKeyBFOCQKCKZSTXLA-ATGUSINASA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.60
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-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 51417547
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 51333617
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412
(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 6241128
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
CID 51157915
N-(4-phenylbutan-2-yl)hexa-2,4-dienamide
CID 78784970
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide (CID 1001333) is (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide is C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide?
The InChIKey is BFOCQKCKZSTXLA-ATGUSINASA-N. The full InChI is InChI=1S/C19H20BrNO/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-11-17-9-12-18(20)13-10-17/h2-6,9-15H,7-8H2,1H3,(H,21,22)/b14-11+/t15-/m1/s1.
What are the key properties of (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide?
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide has a molecular weight of 358.28 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide is sourced from PubChem (CID 1001333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).