3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride

C15H21ClF2N2O — CID 90483211

IUPAC3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
SMILESCl.O=C(CCN1CCCCCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O.ClH/c16-13-6-5-12(11-14(13)17)18-15(20)7-10-19-8-3-1-2-4-9-19;/h5-6,11H,1-4,7-10H2,(H,18,20);1H
InChIKeyRESNZSJCHVXSEQ-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.59
Rot. Bonds4

About 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride

3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride (PubChem CID 90483211) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.79 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
PubChem CID90483211
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.79 g/mol
Exact Mass318.13
IUPAC Name3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
SMILESCl.O=C(CCN1CCCCCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O.ClH/c16-13-6-5-12(11-14(13)17)18-15(20)7-10-19-8-3-1-2-4-9-19;/h5-6,11H,1-4,7-10H2,(H,18,20);1H
InChIKeyRESNZSJCHVXSEQ-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30739246
N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
CID 91962017
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride (CID 90483211) is 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride is Cl.O=C(CCN1CCCCCC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride?
The InChIKey is RESNZSJCHVXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c16-13-6-5-12(11-14(13)17)18-15(20)7-10-19-8-3-1-2-4-9-19;/h5-6,11H,1-4,7-10H2,(H,18,20);1H.
What are the key properties of 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride?
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride has a molecular weight of 318.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 90483211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).