5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide

C14H18FN3O2 — CID 61110216

IUPAC5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide
SMILESNC(=O)CN(C(=O)c1cc(N)ccc1F)C1CCCC1
InChIInChI=1S/C14H18FN3O2/c15-12-6-5-9(16)7-11(12)14(20)18(8-13(17)19)10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H2,17,19)
InChIKeyDEKFWYWKHSJLFY-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.28
Rot. Bonds4

About 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide

5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide (PubChem CID 61110216) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide
PubChem CID61110216
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide
SMILESNC(=O)CN(C(=O)c1cc(N)ccc1F)C1CCCC1
InChIInChI=1S/C14H18FN3O2/c15-12-6-5-9(16)7-11(12)14(20)18(8-13(17)19)10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H2,17,19)
InChIKeyDEKFWYWKHSJLFY-UHFFFAOYSA-N
XLogP1.28
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 60801397
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 61104994
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
5-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-fluorobenzamide
CID 61112675
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 47212500
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide (CID 61110216) is 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide is NC(=O)CN(C(=O)c1cc(N)ccc1F)C1CCCC1.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide?
The InChIKey is DEKFWYWKHSJLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-12-6-5-9(16)7-11(12)14(20)18(8-13(17)19)10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H2,17,19).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide?
5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide is sourced from PubChem (CID 61110216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).