2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide

C13H17FN2O — CID 55118792

IUPAC2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)C(C)(N)C2CC2)ccc1F
InChIInChI=1S/C13H17FN2O/c1-8-7-10(5-6-11(8)14)16-12(17)13(2,15)9-3-4-9/h5-7,9H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyXHYDHMIBMUQAIP-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide

2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide (PubChem CID 55118792) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
PubChem CID55118792
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
SMILESCc1cc(NC(=O)C(C)(N)C2CC2)ccc1F
InChIInChI=1S/C13H17FN2O/c1-8-7-10(5-6-11(8)14)16-12(17)13(2,15)9-3-4-9/h5-7,9H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyXHYDHMIBMUQAIP-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-cyclopropyl-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701447
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
2-amino-2-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 115377371
N-(4-acetamidophenyl)-2-amino-2-cyclopropylpropanamide
CID 60866095
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070
2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
CID 60866090
2-amino-2-cyclopropyl-N-(4-methoxyphenyl)propanamide
CID 54925277
methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate
CID 60927224
2-amino-2-cyclopropyl-N-(2,4-dimethylphenyl)propanamide
CID 60868406
2-amino-2-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61237343
2-amino-N-(6-bromo-3-pyridinyl)-2-cyclopropylpropanamide
CID 103821261
2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
CID 60866775

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide (CID 55118792) is 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide is Cc1cc(NC(=O)C(C)(N)C2CC2)ccc1F.
What is the InChIKey of 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide?
The InChIKey is XHYDHMIBMUQAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-7-10(5-6-11(8)14)16-12(17)13(2,15)9-3-4-9/h5-7,9H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide?
2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide has a molecular weight of 236.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide is sourced from PubChem (CID 55118792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).