N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide

C13H17FN2O2 — CID 84594465

IUPACN-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCCCC(N)=O
InChIInChI=1S/C13H17FN2O2/c1-9-5-6-10(14)8-11(9)13(18)16-7-3-2-4-12(15)17/h5-6,8H,2-4,7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyVCEKSVMAJRRZRN-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.52
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide

N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide (PubChem CID 84594465) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
PubChem CID84594465
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCCCC(N)=O
InChIInChI=1S/C13H17FN2O2/c1-9-5-6-10(14)8-11(9)13(18)16-7-3-2-4-12(15)17/h5-6,8H,2-4,7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyVCEKSVMAJRRZRN-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.52
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

7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
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5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
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N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
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N-(3-amino-3-hydroxyiminopropyl)-5-fluoro-2-methylbenzamide
CID 76985782
5-fluoro-2-methyl-N-pent-4-ynylbenzamide
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5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
N-(4-amino-4-oxobutyl)-5-fluoro-2-nitrobenzamide
CID 60875259
N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
CID 112550764
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
CID 54514696

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide (CID 84594465) is N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCCCCC(N)=O.
What is the InChIKey of N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide?
The InChIKey is VCEKSVMAJRRZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-5-6-10(14)8-11(9)13(18)16-7-3-2-4-12(15)17/h5-6,8H,2-4,7H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide?
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 84594465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).