N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide

C15H18ClN3O2 — CID 110630730

IUPACN-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
SMILESCC(=O)NCCCNC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H18ClN3O2/c1-10(20)17-5-2-6-18-15(21)7-11-9-19-14-4-3-12(16)8-13(11)14/h3-4,8-9,19H,2,5-7H2,1H3,(H,17,20)(H,18,21)
InChIKeyIPIHFDRIQALELG-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.01
Rot. Bonds6

About N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide

N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide (PubChem CID 110630730) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
PubChem CID110630730
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
SMILESCC(=O)NCCCNC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H18ClN3O2/c1-10(20)17-5-2-6-18-15(21)7-11-9-19-14-4-3-12(16)8-13(11)14/h3-4,8-9,19H,2,5-7H2,1H3,(H,17,20)(H,18,21)
InChIKeyIPIHFDRIQALELG-UHFFFAOYSA-N
XLogP2.01
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide
CID 75372870
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide (CID 110630730) is N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide is CC(=O)NCCCNC(=O)Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide?
The InChIKey is IPIHFDRIQALELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(20)17-5-2-6-18-15(21)7-11-9-19-14-4-3-12(16)8-13(11)14/h3-4,8-9,19H,2,5-7H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide?
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110630730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).