4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide

C19H22ClFN2O2 — CID 120591938

IUPAC4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(c1ccc(C)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H22ClFN2O2/c1-12-3-5-13(6-4-12)19(16-8-7-14(21)9-17(16)20)23-18(24)10-15(11-22)25-2/h3-9,15,19H,10-11,22H2,1-2H3,(H,23,24)
InChIKeyKJXPOYNMIHGMEX-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.36
Rot. Bonds7

About 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide

4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide (PubChem CID 120591938) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide
PubChem CID120591938
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(c1ccc(C)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H22ClFN2O2/c1-12-3-5-13(6-4-12)19(16-8-7-14(21)9-17(16)20)23-18(24)10-15(11-22)25-2/h3-9,15,19H,10-11,22H2,1-2H3,(H,23,24)
InChIKeyKJXPOYNMIHGMEX-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120562466
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
1-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 111109492
4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593754
4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120592889
4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
CID 120593154
methyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)propanoate
CID 103694392
N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119778756
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide (CID 120591938) is 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide is COC(CN)CC(=O)NC(c1ccc(C)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide?
The InChIKey is KJXPOYNMIHGMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-12-3-5-13(6-4-12)19(16-8-7-14(21)9-17(16)20)23-18(24)10-15(11-22)25-2/h3-9,15,19H,10-11,22H2,1-2H3,(H,23,24).
What are the key properties of 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide?
4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide has a molecular weight of 364.85 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide is sourced from PubChem (CID 120591938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).