N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide

C19H23FN2O — CID 119527902

IUPACN-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
SMILESCC(CCc1ccccc1F)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C19H23FN2O/c1-14(11-12-15-7-5-6-10-17(15)20)19(23)22-13-18(21)16-8-3-2-4-9-16/h2-10,14,18H,11-13,21H2,1H3,(H,22,23)
InChIKeyNNXWZTMXYVVATO-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.21
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide

N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide (PubChem CID 119527902) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
PubChem CID119527902
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
SMILESCC(CCc1ccccc1F)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C19H23FN2O/c1-14(11-12-15-7-5-6-10-17(15)20)19(23)22-13-18(21)16-8-3-2-4-9-16/h2-10,14,18H,11-13,21H2,1H3,(H,22,23)
InChIKeyNNXWZTMXYVVATO-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119527961
4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 119201306
N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 111483443
2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid
CID 122109856
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119529441
3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
CID 119569414
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide (CID 119527902) is N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide is CC(CCc1ccccc1F)C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide?
The InChIKey is NNXWZTMXYVVATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(11-12-15-7-5-6-10-17(15)20)19(23)22-13-18(21)16-8-3-2-4-9-16/h2-10,14,18H,11-13,21H2,1H3,(H,22,23).
What are the key properties of N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide?
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide has a molecular weight of 314.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 119527902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).