4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

C14H19FN2O — CID 114113741

IUPAC4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H19FN2O/c1-9(2)14(5-6-14)8-17-13(18)10-3-4-12(16)11(15)7-10/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyBNQCJTLYCAEMKQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.57
Rot. Bonds4

About 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (PubChem CID 114113741) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
PubChem CID114113741
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H19FN2O/c1-9(2)14(5-6-14)8-17-13(18)10-3-4-12(16)11(15)7-10/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyBNQCJTLYCAEMKQ-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.57
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-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
CID 119801690
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103873707
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
4-amino-3-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 62678517
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103743847
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81072525
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 102977042

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (CID 114113741) is 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is CC(C)C1(CNC(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The InChIKey is BNQCJTLYCAEMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(2)14(5-6-14)8-17-13(18)10-3-4-12(16)11(15)7-10/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114113741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).