2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide

C18H17FN2O — CID 177167757

IUPAC2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCn1cc(CC(C(N)=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2O/c1-21-11-13(15-4-2-3-5-17(15)21)10-16(18(20)22)12-6-8-14(19)9-7-12/h2-9,11,16H,10H2,1H3,(H2,20,22)
InChIKeyHGFUWLQYLRBCMI-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.13
Rot. Bonds4

About 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide

2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 177167757) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
PubChem CID177167757
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCn1cc(CC(C(N)=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C18H17FN2O/c1-21-11-13(15-4-2-3-5-17(15)21)10-16(18(20)22)12-6-8-14(19)9-7-12/h2-9,11,16H,10H2,1H3,(H2,20,22)
InChIKeyHGFUWLQYLRBCMI-UHFFFAOYSA-N
XLogP3.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975209
3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
CID 66555482
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
4-(1-methylindol-3-yl)butanamide
CID 175206986
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide (CID 177167757) is 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide is Cn1cc(CC(C(N)=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is HGFUWLQYLRBCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-21-11-13(15-4-2-3-5-17(15)21)10-16(18(20)22)12-6-8-14(19)9-7-12/h2-9,11,16H,10H2,1H3,(H2,20,22).
What are the key properties of 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide?
2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 296.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 177167757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).