N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide

C18H17FN2O — CID 46375026

IUPACN-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C18H17FN2O/c1-2-4-18(22)20-15-6-3-5-12(10-15)17-11-13-9-14(19)7-8-16(13)21-17/h3,5-11,21H,2,4H2,1H3,(H,20,22)
InChIKeyNCESDMMGTPXHTI-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.71
Rot. Bonds4

About N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide

N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide (PubChem CID 46375026) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide
PubChem CID46375026
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C18H17FN2O/c1-2-4-18(22)20-15-6-3-5-12(10-15)17-11-13-9-14(19)7-8-16(13)21-17/h3,5-11,21H,2,4H2,1H3,(H,20,22)
InChIKeyNCESDMMGTPXHTI-UHFFFAOYSA-N
XLogP4.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(1H-indol-2-yl)phenyl]pentanamide
CID 46374998
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
CID 20970846
1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380900
N-(3-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390165
2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide
CID 53245435
2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide
CID 46334526
N-(3,5-difluorophenyl)butanamide
CID 17271988
1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
N-(3-fluorophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331277

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide?
The IUPAC name of N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide (CID 46375026) is N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide?
The InChIKey is NCESDMMGTPXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-2-4-18(22)20-15-6-3-5-12(10-15)17-11-13-9-14(19)7-8-16(13)21-17/h3,5-11,21H,2,4H2,1H3,(H,20,22).
What are the key properties of N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide?
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide has a molecular weight of 296.35 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide is sourced from PubChem (CID 46375026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).