N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide

C14H15ClN2O — CID 115636757

IUPACN-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
SMILESC=C(Cl)CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H15ClN2O/c1-10(15)8-17-14(18)7-6-11-9-16-13-5-3-2-4-12(11)13/h2-5,9,16H,1,6-8H2,(H,17,18)
InChIKeyRMLYXZBOMIGOHB-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.97
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide

N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 115636757) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
PubChem CID115636757
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
SMILESC=C(Cl)CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H15ClN2O/c1-10(15)8-17-14(18)7-6-11-9-16-13-5-3-2-4-12(11)13/h2-5,9,16H,1,6-8H2,(H,17,18)
InChIKeyRMLYXZBOMIGOHB-UHFFFAOYSA-N
XLogP2.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
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N-hydroxy-3-(1H-indol-3-yl)propanamide
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4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
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3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
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3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
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3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
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N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
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3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide (CID 115636757) is N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide is C=C(Cl)CNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is RMLYXZBOMIGOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(15)8-17-14(18)7-6-11-9-16-13-5-3-2-4-12(11)13/h2-5,9,16H,1,6-8H2,(H,17,18).
What are the key properties of N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide?
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 262.74 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 115636757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).