2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide

C19H27FN2O — CID 167932539

IUPAC2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CC1CCCNCC1)N(CCc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H27FN2O/c20-17-5-3-15(4-6-17)10-13-22(18-7-8-18)19(23)14-16-2-1-11-21-12-9-16/h3-6,16,18,21H,1-2,7-14H2
InChIKeyZQPJHDAUPOXGMS-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.14
Rot. Bonds6

About 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 167932539) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID167932539
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CC1CCCNCC1)N(CCc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H27FN2O/c20-17-5-3-15(4-6-17)10-13-22(18-7-8-18)19(23)14-16-2-1-11-21-12-9-16/h3-6,16,18,21H,1-2,7-14H2
InChIKeyZQPJHDAUPOXGMS-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333
N-cyclopentyl-2-(cyclopropylmethylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 119821530
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
CID 62676328
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
CID 119740757
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 134366951
N-ethyl-N-(4-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119690587
N-[2-(4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopentanamine;hydrochloride
CID 119932442
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 167932539) is 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CC1CCCNCC1)N(CCc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is ZQPJHDAUPOXGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-17-5-3-15(4-6-17)10-13-22(18-7-8-18)19(23)14-16-2-1-11-21-12-9-16/h3-6,16,18,21H,1-2,7-14H2.
What are the key properties of 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 318.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 167932539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).