3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide

C15H17ClN2O2 — CID 145099551

IUPAC3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C=O)C(=O)CCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O2/c1-10(2)18(9-19)14(20)7-6-11-8-17-15-12(11)4-3-5-13(15)16/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyCUHFOITWSZEWSN-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.15
Rot. Bonds5

About 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide

3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide (PubChem CID 145099551) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide
PubChem CID145099551
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C=O)C(=O)CCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O2/c1-10(2)18(9-19)14(20)7-6-11-8-17-15-12(11)4-3-5-13(15)16/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyCUHFOITWSZEWSN-UHFFFAOYSA-N
XLogP3.15
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(7-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]-N-formylpropanamide;ethane;methanamine
CID 145099614
3-(7-chloro-1H-indol-3-yl)-N-[(3,4-difluorophenyl)methyl]-N-formylpropanamide;ethane;methanamine
CID 145099548
N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(3-chlorophenyl)methyl]propanamide
CID 121401299
N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide
CID 121401280
2-(7-chloro-1H-indol-3-yl)acetamide
CID 10703607
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 76846630
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
methyl (2R)-2-acetamido-3-(7-chloro-1H-indol-3-yl)propanoate
CID 100944705
2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119200885
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide (CID 145099551) is 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide is CC(C)N(C=O)C(=O)CCc1c[nH]c2c(Cl)cccc12.
What is the InChIKey of 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide?
The InChIKey is CUHFOITWSZEWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(2)18(9-19)14(20)7-6-11-8-17-15-12(11)4-3-5-13(15)16/h3-5,8-10,17H,6-7H2,1-2H3.
What are the key properties of 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide?
3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide has a molecular weight of 292.77 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1H-indol-3-yl)-N-formyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 145099551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).