N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide

C16H23FN2O — CID 119775061

IUPACN-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C16H23FN2O/c1-18-11-3-6-15(20)19-16(12-4-2-5-12)13-7-9-14(17)10-8-13/h7-10,12,16,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyHZGLCRBGDZXASA-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.78
Rot. Bonds7

About N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide

N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide (PubChem CID 119775061) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
PubChem CID119775061
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C16H23FN2O/c1-18-11-3-6-15(20)19-16(12-4-2-5-12)13-7-9-14(17)10-8-13/h7-10,12,16,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyHZGLCRBGDZXASA-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51951505
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 51951531
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 94612179
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119951249

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide (CID 119775061) is N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide is CNCCCC(=O)NC(c1ccc(F)cc1)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide?
The InChIKey is HZGLCRBGDZXASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-18-11-3-6-15(20)19-16(12-4-2-5-12)13-7-9-14(17)10-8-13/h7-10,12,16,18H,2-6,11H2,1H3,(H,19,20).
What are the key properties of N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide?
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide has a molecular weight of 278.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119775061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).