N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide

C21H23FN2O — CID 2717035

IUPACN-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide
SMILESCCn1cc(CC[C@H](C)NC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H23FN2O/c1-3-24-14-17(19-6-4-5-7-20(19)24)9-8-15(2)23-21(25)16-10-12-18(22)13-11-16/h4-7,10-15H,3,8-9H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyUFDHMGMQXJJYBE-HNNXBMFYSA-N
MW338.43 g/mol
LogP4.55
Rot. Bonds6

About N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide

N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide (PubChem CID 2717035) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide
PubChem CID2717035
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide
SMILESCCn1cc(CC[C@H](C)NC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H23FN2O/c1-3-24-14-17(19-6-4-5-7-20(19)24)9-8-15(2)23-21(25)16-10-12-18(22)13-11-16/h4-7,10-15H,3,8-9H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyUFDHMGMQXJJYBE-HNNXBMFYSA-N
XLogP4.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-ethylindol-3-yl)butan-2-yl]-3,4,5-trimethoxybenzamide
CID 5165253
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951
N-butan-2-yl-4-(1-ethylindol-3-yl)butanamide
CID 22522937
[3-[4-(1-ethylindol-3-yl)-2-methylbutanoyl]oxy-2-hydroxypropyl] 4-(1-ethylindol-3-yl)-2-methylbutanoate
CID 172522188
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 71846285
4-fluoro-N-(4-oxobutan-2-yl)benzamide
CID 58870084
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide (CID 2717035) is N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide is CCn1cc(CC[C@H](C)NC(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide?
The InChIKey is UFDHMGMQXJJYBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-3-24-14-17(19-6-4-5-7-20(19)24)9-8-15(2)23-21(25)16-10-12-18(22)13-11-16/h4-7,10-15H,3,8-9H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide?
N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide has a molecular weight of 338.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 2717035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).