2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide

C14H19FN2O — CID 60944357

IUPAC2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
SMILESCCCCN(C(=O)c1cc(F)ccc1N)C1CC1
InChIInChI=1S/C14H19FN2O/c1-2-3-8-17(11-5-6-11)14(18)12-9-10(15)4-7-13(12)16/h4,7,9,11H,2-3,5-6,8,16H2,1H3
InChIKeyMXTZQOAFAWLGNE-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.81
Rot. Bonds5

About 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide

2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide (PubChem CID 60944357) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
PubChem CID60944357
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
SMILESCCCCN(C(=O)c1cc(F)ccc1N)C1CC1
InChIInChI=1S/C14H19FN2O/c1-2-3-8-17(11-5-6-11)14(18)12-9-10(15)4-7-13(12)16/h4,7,9,11H,2-3,5-6,8,16H2,1H3
InChIKeyMXTZQOAFAWLGNE-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.81
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-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide
CID 103542917
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
CID 61443329
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
2-[[butyl(cyclopropyl)amino]methyl]-5-fluorobenzenecarbothioamide
CID 63292633

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide?
The IUPAC name of 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide (CID 60944357) is 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide is CCCCN(C(=O)c1cc(F)ccc1N)C1CC1.
What is the InChIKey of 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide?
The InChIKey is MXTZQOAFAWLGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-3-8-17(11-5-6-11)14(18)12-9-10(15)4-7-13(12)16/h4,7,9,11H,2-3,5-6,8,16H2,1H3.
What are the key properties of 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide?
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide is sourced from PubChem (CID 60944357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).