N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide

C19H19BrN2O — CID 22522913

IUPACN-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
SMILESCn1cc(CCCC(=O)Nc2ccccc2Br)c2ccccc21
InChIInChI=1S/C19H19BrN2O/c1-22-13-14(15-8-2-5-11-18(15)22)7-6-12-19(23)21-17-10-4-3-9-16(17)20/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,23)
InChIKeyPOHIGPXGYQGEOK-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.90
Rot. Bonds5

About N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide

N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide (PubChem CID 22522913) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
PubChem CID22522913
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC NameN-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
SMILESCn1cc(CCCC(=O)Nc2ccccc2Br)c2ccccc21
InChIInChI=1S/C19H19BrN2O/c1-22-13-14(15-8-2-5-11-18(15)22)7-6-12-19(23)21-17-10-4-3-9-16(17)20/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,23)
InChIKeyPOHIGPXGYQGEOK-UHFFFAOYSA-N
XLogP4.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-methylindol-3-yl)butanamide
CID 175206986
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998600
5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 140983112
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide
CID 141490301
N-(2-bromophenyl)butanamide
CID 732405
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211482
N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 134971218
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide
CID 91639034

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide?
The IUPAC name of N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide (CID 22522913) is N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide is Cn1cc(CCCC(=O)Nc2ccccc2Br)c2ccccc21.
What is the InChIKey of N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide?
The InChIKey is POHIGPXGYQGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-22-13-14(15-8-2-5-11-18(15)22)7-6-12-19(23)21-17-10-4-3-9-16(17)20/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide?
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide has a molecular weight of 371.28 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 22522913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).