N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide

C19H18FN3O2 — CID 154861063

IUPACN-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N[C@H](CC(N)=O)c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C19H18FN3O2/c1-23-11-15(14-9-13(20)7-8-17(14)23)19(25)22-16(10-18(21)24)12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3,(H2,21,24)(H,22,25)/t16-/m1/s1
InChIKeyZBUSPQOWORUGHM-MRXNPFEDSA-N
MW339.37 g/mol
LogP2.66
Rot. Bonds5

About N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide

N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide (PubChem CID 154861063) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
PubChem CID154861063
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N[C@H](CC(N)=O)c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C19H18FN3O2/c1-23-11-15(14-9-13(20)7-8-17(14)23)19(25)22-16(10-18(21)24)12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3,(H2,21,24)(H,22,25)/t16-/m1/s1
InChIKeyZBUSPQOWORUGHM-MRXNPFEDSA-N
XLogP2.66
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 155947647
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 30133417
3-[(2-chloro-4-fluorobenzoyl)amino]-3-phenylpropanoic acid
CID 16771773
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide
CID 167819442
ethyl 2-(5-fluoro-1-methylindol-3-yl)-2-oxoacetate
CID 68526851
2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
CID 43708581
N-(3-amino-3-oxo-1-phenylpropyl)butanamide
CID 44600497
5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide
CID 164637052
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide?
The IUPAC name of N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide (CID 154861063) is N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide is Cn1cc(C(=O)N[C@H](CC(N)=O)c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide?
The InChIKey is ZBUSPQOWORUGHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-23-11-15(14-9-13(20)7-8-17(14)23)19(25)22-16(10-18(21)24)12-5-3-2-4-6-12/h2-9,11,16H,10H2,1H3,(H2,21,24)(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide?
N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide is sourced from PubChem (CID 154861063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).