2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide

C17H17FN2O — CID 81499537

IUPAC2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H17FN2O/c18-15-8-4-7-14(16(15)19)17(21)20(13-9-10-13)11-12-5-2-1-3-6-12/h1-8,13H,9-11,19H2
InChIKeyHQUJUUKGNLLCMA-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.21
Rot. Bonds4

About 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide

2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide (PubChem CID 81499537) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide
PubChem CID81499537
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H17FN2O/c18-15-8-4-7-14(16(15)19)17(21)20(13-9-10-13)11-12-5-2-1-3-6-12/h1-8,13H,9-11,19H2
InChIKeyHQUJUUKGNLLCMA-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.21
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

N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
2-amino-N-ethyl-3-fluoro-N-(2-phenylethyl)benzamide
CID 81499615
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
4-amino-N-benzyl-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081458
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222
N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850
N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
CID 103874221

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide?
The IUPAC name of 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide (CID 81499537) is 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide is Nc1c(F)cccc1C(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide?
The InChIKey is HQUJUUKGNLLCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-8-4-7-14(16(15)19)17(21)20(13-9-10-13)11-12-5-2-1-3-6-12/h1-8,13H,9-11,19H2.
What are the key properties of 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide?
2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide has a molecular weight of 284.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide is sourced from PubChem (CID 81499537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).