5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide

C14H19FN2O — CID 61104994

IUPAC5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1cc(N)ccc1F)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9(2)8-17(11-4-5-11)14(18)12-7-10(16)3-6-13(12)15/h3,6-7,9,11H,4-5,8,16H2,1-2H3
InChIKeyBAJNVMMHZXEBFA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.67
Rot. Bonds4

About 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide

5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 61104994) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
PubChem CID61104994
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1cc(N)ccc1F)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9(2)8-17(11-4-5-11)14(18)12-7-10(16)3-6-13(12)15/h3,6-7,9,11H,4-5,8,16H2,1-2H3
InChIKeyBAJNVMMHZXEBFA-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 63110252
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide
CID 61110216
5-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-fluorobenzamide
CID 61112675
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 61107611
4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 112725824
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 43587095
5-chloro-N-cyclopentyl-2-hydroxy-N-(2-methylpropyl)benzamide
CID 112725805
N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107032474
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide (CID 61104994) is 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1cc(N)ccc1F)C1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is BAJNVMMHZXEBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(2)8-17(11-4-5-11)14(18)12-7-10(16)3-6-13(12)15/h3,6-7,9,11H,4-5,8,16H2,1-2H3.
What are the key properties of 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide?
5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61104994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).