5-fluoro-5-propylazepane-2-carboxamide

C10H19FN2O — CID 141105895

IUPAC5-fluoro-5-propylazepane-2-carboxamide
SMILESCCCC1(F)CCNC(C(N)=O)CC1
InChIInChI=1S/C10H19FN2O/c1-2-4-10(11)5-3-8(9(12)14)13-7-6-10/h8,13H,2-7H2,1H3,(H2,12,14)
InChIKeyNVVCGXPDCOWMIE-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.12
Rot. Bonds3

About 5-fluoro-5-propylazepane-2-carboxamide

5-fluoro-5-propylazepane-2-carboxamide (PubChem CID 141105895) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 5-fluoro-5-propylazepane-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-5-propylazepane-2-carboxamide
PubChem CID141105895
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name5-fluoro-5-propylazepane-2-carboxamide
SMILESCCCC1(F)CCNC(C(N)=O)CC1
InChIInChI=1S/C10H19FN2O/c1-2-4-10(11)5-3-8(9(12)14)13-7-6-10/h8,13H,2-7H2,1H3,(H2,12,14)
InChIKeyNVVCGXPDCOWMIE-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[(3S)-2-oxoazepan-3-yl]dodecanamide
CID 11151929
3-((4-Ethylcyclohexyl)amino)azepan-2-one
CID 3866131
N-(2-oxoazepan-3-yl)octanamide
CID 19035131
2-cyclohexyl-N-(2-oxoazepan-3-yl)acetamide
CID 45818644
Caprolactin A
CID 21773705
Cambridge id 5420729
CID 782376
N-cycloheptyl-2-ethyl-7-oxoazepane-2-carboxamide
CID 110196349
N-cyclohexyl-2-ethyl-7-oxoazepane-2-carboxamide
CID 110196350
3-cyclopentyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 93615159
2-[2-Oxo-6-(3,3,3-trifluoropropyl)azepan-1-yl]butanamide
CID 9814634
2-[6-(2,2-Difluoropropyl)-2-oxoazepan-1-yl]butanamide
CID 21990296
(2S)-5-(4-fluorobutyl)-N-methylazepane-2-carboxamide
CID 58932188

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-propylazepane-2-carboxamide?
The IUPAC name of 5-fluoro-5-propylazepane-2-carboxamide (CID 141105895) is 5-fluoro-5-propylazepane-2-carboxamide.
What is the SMILES notation for 5-fluoro-5-propylazepane-2-carboxamide?
The canonical SMILES for 5-fluoro-5-propylazepane-2-carboxamide is CCCC1(F)CCNC(C(N)=O)CC1.
What is the InChIKey of 5-fluoro-5-propylazepane-2-carboxamide?
The InChIKey is NVVCGXPDCOWMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-2-4-10(11)5-3-8(9(12)14)13-7-6-10/h8,13H,2-7H2,1H3,(H2,12,14).
What are the key properties of 5-fluoro-5-propylazepane-2-carboxamide?
5-fluoro-5-propylazepane-2-carboxamide has a molecular weight of 202.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-propylazepane-2-carboxamide is sourced from PubChem (CID 141105895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).