3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride

C20H24ClFN2O — CID 119950889

IUPAC3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCC1(c2ccc(F)cc2)CCC1)c1ccccc1
InChIInChI=1S/C20H23FN2O.ClH/c21-17-9-7-16(8-10-17)20(11-4-12-20)14-23-19(24)13-18(22)15-5-2-1-3-6-15;/h1-3,5-10,18H,4,11-14,22H2,(H,23,24);1H
InChIKeyKEHMMYXQYKLOAZ-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.88
Rot. Bonds6

About 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119950889) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119950889
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC Name3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCC1(c2ccc(F)cc2)CCC1)c1ccccc1
InChIInChI=1S/C20H23FN2O.ClH/c21-17-9-7-16(8-10-17)20(11-4-12-20)14-23-19(24)13-18(22)15-5-2-1-3-6-15;/h1-3,5-10,18H,4,11-14,22H2,(H,23,24);1H
InChIKeyKEHMMYXQYKLOAZ-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119951552
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
CID 119951995
4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 120587665
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride (CID 119950889) is 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NCC1(c2ccc(F)cc2)CCC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is KEHMMYXQYKLOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.ClH/c21-17-9-7-16(8-10-17)20(11-4-12-20)14-23-19(24)13-18(22)15-5-2-1-3-6-15;/h1-3,5-10,18H,4,11-14,22H2,(H,23,24);1H.
What are the key properties of 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).