N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride

C15H22ClFN2O — CID 119715339

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(Cc1cccc(F)c1)C1CC1.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-17-9-3-6-15(19)18(14-7-8-14)11-12-4-2-5-13(16)10-12;/h2,4-5,10,14,17H,3,6-9,11H2,1H3;1H
InChIKeyORLPOHAFSYAUJA-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.74
Rot. Bonds7

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119715339) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119715339
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(Cc1cccc(F)c1)C1CC1.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-17-9-3-6-15(19)18(14-7-8-14)11-12-4-2-5-13(16)10-12;/h2,4-5,10,14,17H,3,6-9,11H2,1H3;1H
InChIKeyORLPOHAFSYAUJA-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
CID 60947854
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536551
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride (CID 119715339) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)N(Cc1cccc(F)c1)C1CC1.Cl.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ORLPOHAFSYAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O.ClH/c1-17-9-3-6-15(19)18(14-7-8-14)11-12-4-2-5-13(16)10-12;/h2,4-5,10,14,17H,3,6-9,11H2,1H3;1H.
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 300.81 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119715339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).