N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide

C14H18FN3O2 — CID 76945662

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CCC(N)=NO)C2CC2)c1
InChIInChI=1S/C14H18FN3O2/c1-9-2-5-12(15)11(8-9)14(19)18(10-3-4-10)7-6-13(16)17-20/h2,5,8,10,20H,3-4,6-7H2,1H3,(H2,16,17)
InChIKeyHUKSRKKWNGMPJD-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.88
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide (PubChem CID 76945662) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
PubChem CID76945662
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CCC(N)=NO)C2CC2)c1
InChIInChI=1S/C14H18FN3O2/c1-9-2-5-12(15)11(8-9)14(19)18(10-3-4-10)7-6-13(16)17-20/h2,5,8,10,20H,3-4,6-7H2,1H3,(H2,16,17)
InChIKeyHUKSRKKWNGMPJD-UHFFFAOYSA-N
XLogP1.88
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3,4-trifluorobenzamide
CID 79755748
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
CID 80659303
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
CID 107983677
N-(2-amino-2-hydroxyiminoethyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 76945669
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
CID 61350342
N-(2-bromoethyl)-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 80665330
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide
CID 76930113
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
CID 104639467

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide (CID 76945662) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)N(CCC(N)=NO)C2CC2)c1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide?
The InChIKey is HUKSRKKWNGMPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9-2-5-12(15)11(8-9)14(19)18(10-3-4-10)7-6-13(16)17-20/h2,5,8,10,20H,3-4,6-7H2,1H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 76945662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).