4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide

C14H19FN2O — CID 63994432

IUPAC4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
SMILESCCC(CC1CC1)NC(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H19FN2O/c1-2-11(7-9-3-4-9)17-14(18)12-6-5-10(16)8-13(12)15/h5-6,8-9,11H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyPKHRYDWTKDPLLQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.72
Rot. Bonds5

About 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide

4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide (PubChem CID 63994432) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
PubChem CID63994432
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
SMILESCCC(CC1CC1)NC(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H19FN2O/c1-2-11(7-9-3-4-9)17-14(18)12-6-5-10(16)8-13(12)15/h5-6,8-9,11H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyPKHRYDWTKDPLLQ-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 63996800
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865517
4-(1-cyclopropylbutan-2-ylamino)-2-fluorobenzoic acid
CID 115485480
5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
CID 113288604
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide
CID 63995018
N-(1-cyclopropylbutan-2-yl)-5-methyl-2-(methylamino)benzamide
CID 63994027
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide?
The IUPAC name of 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide (CID 63994432) is 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide is CCC(CC1CC1)NC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide?
The InChIKey is PKHRYDWTKDPLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-11(7-9-3-4-9)17-14(18)12-6-5-10(16)8-13(12)15/h5-6,8-9,11H,2-4,7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide?
4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 63994432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).