N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide

C19H18BrClN2O2 — CID 26159622

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18BrClN2O2/c1-2-25-19-15(20)9-13(21)10-17(19)23-18(24)8-7-12-11-22-16-6-4-3-5-14(12)16/h3-6,9-11,22H,2,7-8H2,1H3,(H,23,24)
InChIKeyAGAHGKQKHSFKCJ-UHFFFAOYSA-N
MW421.72 g/mol
LogP5.55
Rot. Bonds6

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 26159622) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID26159622
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18BrClN2O2/c1-2-25-19-15(20)9-13(21)10-17(19)23-18(24)8-7-12-11-22-16-6-4-3-5-14(12)16/h3-6,9-11,22H,2,7-8H2,1H3,(H,23,24)
InChIKeyAGAHGKQKHSFKCJ-UHFFFAOYSA-N
XLogP5.55
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.72
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 26159691
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate
CID 29454881
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
methyl N-[4-(3-bromo-5-chloro-2-ethoxyanilino)-4-oxobutyl]-N-methylcarbamate
CID 86891822
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide (CID 26159622) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide is CCOc1c(Br)cc(Cl)cc1NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is AGAHGKQKHSFKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c1-2-25-19-15(20)9-13(21)10-17(19)23-18(24)8-7-12-11-22-16-6-4-3-5-14(12)16/h3-6,9-11,22H,2,7-8H2,1H3,(H,23,24).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 421.72 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 26159622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).