N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride

C17H26ClFN2O — CID 119261120

IUPACN-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(F)c1)NCCNC1CCCCCC1
InChIInChI=1S/C17H25FN2O.ClH/c18-15-7-5-6-14(12-15)13-17(21)20-11-10-19-16-8-3-1-2-4-9-16;/h5-7,12,16,19H,1-4,8-11,13H2,(H,20,21);1H
InChIKeyBUXXWWFAAGQTIN-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride (PubChem CID 119261120) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
PubChem CID119261120
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(F)c1)NCCNC1CCCCCC1
InChIInChI=1S/C17H25FN2O.ClH/c18-15-7-5-6-14(12-15)13-17(21)20-11-10-19-16-8-3-1-2-4-9-16;/h5-7,12,16,19H,1-4,8-11,13H2,(H,20,21);1H
InChIKeyBUXXWWFAAGQTIN-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
4-(azepane-1-carbonyl)-N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 86875056
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 119619857
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842
(2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 52513427
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119590413
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride (CID 119261120) is N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride is Cl.O=C(Cc1cccc(F)c1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride?
The InChIKey is BUXXWWFAAGQTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c18-15-7-5-6-14(12-15)13-17(21)20-11-10-19-16-8-3-1-2-4-9-16;/h5-7,12,16,19H,1-4,8-11,13H2,(H,20,21);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119261120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).