4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

C14H19ClF2N2O — CID 119451917

IUPAC4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc(F)c(F)c1)NC1CCNC1
InChIInChI=1S/C14H18F2N2O.ClH/c15-12-5-4-10(8-13(12)16)2-1-3-14(19)18-11-6-7-17-9-11;/h4-5,8,11,17H,1-3,6-7,9H2,(H,18,19);1H
InChIKeyHUIPNIVTCGDESA-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.19
Rot. Bonds5

About 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119451917) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119451917
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc(F)c(F)c1)NC1CCNC1
InChIInChI=1S/C14H18F2N2O.ClH/c15-12-5-4-10(8-13(12)16)2-1-3-14(19)18-11-6-7-17-9-11;/h4-5,8,11,17H,1-3,6-7,9H2,(H,18,19);1H
InChIKeyHUIPNIVTCGDESA-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453666
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388493
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide
CID 119388494
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
4-(3,4-difluorophenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447099
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
CID 119610887
4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392670

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119451917) is 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is Cl.O=C(CCCc1ccc(F)c(F)c1)NC1CCNC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is HUIPNIVTCGDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c15-12-5-4-10(8-13(12)16)2-1-3-14(19)18-11-6-7-17-9-11;/h4-5,8,11,17H,1-3,6-7,9H2,(H,18,19);1H.
What are the key properties of 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119451917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).