4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

C21H25ClN2O — CID 119453666

IUPAC4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NC1CCNC1
InChIInChI=1S/C21H24N2O.ClH/c24-21(23-18-10-11-22-14-18)7-3-4-15-8-9-17-13-16-5-1-2-6-19(16)20(17)12-15;/h1-2,5-6,8-9,12,18,22H,3-4,7,10-11,13-14H2,(H,23,24);1H
InChIKeyFCJCGNPKMGJLSO-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.48
Rot. Bonds5

About 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119453666) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119453666
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NC1CCNC1
InChIInChI=1S/C21H24N2O.ClH/c24-21(23-18-10-11-22-14-18)7-3-4-15-8-9-17-13-16-5-1-2-6-19(16)20(17)12-15;/h1-2,5-6,8-9,12,18,22H,3-4,7,10-11,13-14H2,(H,23,24);1H
InChIKeyFCJCGNPKMGJLSO-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide
CID 56800513
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451917
4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388493
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide
CID 119388494
(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid
CID 119370153
N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119453666) is 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is Cl.O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NC1CCNC1.
What is the InChIKey of 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is FCJCGNPKMGJLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.ClH/c24-21(23-18-10-11-22-14-18)7-3-4-15-8-9-17-13-16-5-1-2-6-19(16)20(17)12-15;/h1-2,5-6,8-9,12,18,22H,3-4,7,10-11,13-14H2,(H,23,24);1H.
What are the key properties of 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119453666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).