3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide

C14H19FN2O — CID 61107794

IUPAC3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(F)c(N)c1)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9(2)8-17(11-4-5-11)14(18)10-3-6-12(15)13(16)7-10/h3,6-7,9,11H,4-5,8,16H2,1-2H3
InChIKeyVHWWCLZRYAKVMX-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide

3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 61107794) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
PubChem CID61107794
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(F)c(N)c1)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9(2)8-17(11-4-5-11)14(18)10-3-6-12(15)13(16)7-10/h3,6-7,9,11H,4-5,8,16H2,1-2H3
InChIKeyVHWWCLZRYAKVMX-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

5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 61104994
4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide
CID 62159538
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
2-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 63110252
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 61115533
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
CID 55001659

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide (CID 61107794) is 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1ccc(F)c(N)c1)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is VHWWCLZRYAKVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(2)8-17(11-4-5-11)14(18)10-3-6-12(15)13(16)7-10/h3,6-7,9,11H,4-5,8,16H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide?
3-amino-N-cyclopropyl-4-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 3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61107794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).