(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone

C18H14BrNO — CID 63491819

IUPAC(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1c[nH]c2ccc(Br)cc12)C1(c2ccccc2)CC1
InChIInChI=1S/C18H14BrNO/c19-13-6-7-16-14(10-13)15(11-20-16)17(21)18(8-9-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9H2
InChIKeyFXXGBEJWZJTZOW-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.84
Rot. Bonds3

About (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone

(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 63491819) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone
PubChem CID63491819
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1c[nH]c2ccc(Br)cc12)C1(c2ccccc2)CC1
InChIInChI=1S/C18H14BrNO/c19-13-6-7-16-14(10-13)15(11-20-16)17(21)18(8-9-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9H2
InChIKeyFXXGBEJWZJTZOW-UHFFFAOYSA-N
XLogP4.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626591
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-(5-bromo-1H-indol-3-yl)-5-oxopentanoic acid
CID 43329853
4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
CID 62877078
2-(5-bromo-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391844
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone (CID 63491819) is (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone is O=C(c1c[nH]c2ccc(Br)cc12)C1(c2ccccc2)CC1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is FXXGBEJWZJTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c19-13-6-7-16-14(10-13)15(11-20-16)17(21)18(8-9-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9H2.
What are the key properties of (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone?
(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 340.22 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 63491819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).