2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide

C19H17BrN2O — CID 39313071

IUPAC2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
SMILESO=C(c1ccccc1Br)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C19H17BrN2O/c20-17-4-2-1-3-16(17)19(23)22(15-6-7-15)12-13-5-8-18-14(11-13)9-10-21-18/h1-5,8-11,15,21H,6-7,12H2
InChIKeyZNGZDBFRIZOLCG-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.74
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide

2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide (PubChem CID 39313071) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
PubChem CID39313071
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
SMILESO=C(c1ccccc1Br)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C19H17BrN2O/c20-17-4-2-1-3-16(17)19(23)22(15-6-7-15)12-13-5-8-18-14(11-13)9-10-21-18/h1-5,8-11,15,21H,6-7,12H2
InChIKeyZNGZDBFRIZOLCG-UHFFFAOYSA-N
XLogP4.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone
CID 158169595
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 39348998
3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide
CID 39313919
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
CID 39313525
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide
CID 119069823
cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74243543
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39337246
1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea
CID 122562050
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 118789700
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 39349715
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide (CID 39313071) is 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide is O=C(c1ccccc1Br)N(Cc1ccc2[nH]ccc2c1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide?
The InChIKey is ZNGZDBFRIZOLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c20-17-4-2-1-3-16(17)19(23)22(15-6-7-15)12-13-5-8-18-14(11-13)9-10-21-18/h1-5,8-11,15,21H,6-7,12H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide?
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide has a molecular weight of 369.26 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide is sourced from PubChem (CID 39313071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).