2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide

C14H16BrN3O — CID 166276758

IUPAC2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide
SMILESCC1(C(N)C(=O)Nc2c[nH]c3cc(Br)ccc23)CC1
InChIInChI=1S/C14H16BrN3O/c1-14(4-5-14)12(16)13(19)18-11-7-17-10-6-8(15)2-3-9(10)11/h2-3,6-7,12,17H,4-5,16H2,1H3,(H,18,19)
InChIKeyKSIPZOOQFVVVIA-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide

2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide (PubChem CID 166276758) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide
PubChem CID166276758
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide
SMILESCC1(C(N)C(=O)Nc2c[nH]c3cc(Br)ccc23)CC1
InChIInChI=1S/C14H16BrN3O/c1-14(4-5-14)12(16)13(19)18-11-7-17-10-6-8(15)2-3-9(10)11/h2-3,6-7,12,17H,4-5,16H2,1H3,(H,18,19)
InChIKeyKSIPZOOQFVVVIA-UHFFFAOYSA-N
XLogP3.00
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromo-1H-indol-3-yl)acetamide
CID 70122849
N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167945836
(6-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176496
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
CID 135045023
(2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide
CID 24801997
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
(E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoic acid
CID 14847255
ethyl 2-(6-bromo-1H-indol-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetate
CID 134971955
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 162765726

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide?
The IUPAC name of 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide (CID 166276758) is 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide?
The canonical SMILES for 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide is CC1(C(N)C(=O)Nc2c[nH]c3cc(Br)ccc23)CC1.
What is the InChIKey of 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide?
The InChIKey is KSIPZOOQFVVVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-14(4-5-14)12(16)13(19)18-11-7-17-10-6-8(15)2-3-9(10)11/h2-3,6-7,12,17H,4-5,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide?
2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide has a molecular weight of 322.21 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 166276758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).