N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide

C19H22FN3O — CID 113223373

IUPACN-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
SMILESNc1ccc(F)c(NC(=O)CCN(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C19H22FN3O/c20-17-9-6-15(21)12-18(17)22-19(24)10-11-23(16-7-8-16)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13,21H2,(H,22,24)
InChIKeyRDKQYZRKVQRQPG-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.40
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide

N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide (PubChem CID 113223373) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
PubChem CID113223373
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
SMILESNc1ccc(F)c(NC(=O)CCN(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C19H22FN3O/c20-17-9-6-15(21)12-18(17)22-19(24)10-11-23(16-7-8-16)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13,21H2,(H,22,24)
InChIKeyRDKQYZRKVQRQPG-UHFFFAOYSA-N
XLogP3.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 34205276
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 113220993
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide
CID 55832005
N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide
CID 78973770
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
CID 34969253
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide (CID 113223373) is N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide is Nc1ccc(F)c(NC(=O)CCN(Cc2ccccc2)C2CC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide?
The InChIKey is RDKQYZRKVQRQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-9-6-15(21)12-18(17)22-19(24)10-11-23(16-7-8-16)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13,21H2,(H,22,24).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide?
N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide has a molecular weight of 327.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide is sourced from PubChem (CID 113223373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).