(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide

C17H13BrN2O — CID 16878167

IUPAC(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1c[nH]c2ccccc12)Nc1cccc(Br)c1
InChIInChI=1S/C17H13BrN2O/c18-13-4-3-5-14(10-13)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-11,19H,(H,20,21)/b9-8+
InChIKeySNXBTRXMMPEAGB-CMDGGOBGSA-N
MW341.21 g/mol
LogP4.58
Rot. Bonds3

About (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide

(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide (PubChem CID 16878167) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
PubChem CID16878167
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1c[nH]c2ccccc12)Nc1cccc(Br)c1
InChIInChI=1S/C17H13BrN2O/c18-13-4-3-5-14(10-13)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-11,19H,(H,20,21)/b9-8+
InChIKeySNXBTRXMMPEAGB-CMDGGOBGSA-N
XLogP4.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromo-1H-indol-3-yl)-N-(3-fluorophenyl)prop-2-enamide
CID 172907290
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136897265
4-(3-bromoanilino)-4-oxobut-2-enoic acid
CID 708585
2-(4-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
CID 78319228
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
2-(2-fluorophenyl)-N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]acetamide
CID 78319230
(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 129245252
N-[3-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 78319229
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide (CID 16878167) is (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide is O=C(/C=C/c1c[nH]c2ccccc12)Nc1cccc(Br)c1.
What is the InChIKey of (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide?
The InChIKey is SNXBTRXMMPEAGB-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-13-4-3-5-14(10-13)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-11,19H,(H,20,21)/b9-8+.
What are the key properties of (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide?
(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide has a molecular weight of 341.21 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 16878167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).