4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride

C19H23Cl2FN2O — CID 120562466

IUPAC4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride
SMILESCc1ccc(C(NC(=O)CCC(C)N)c2ccc(F)cc2Cl)cc1.Cl
InChIInChI=1S/C19H22ClFN2O.ClH/c1-12-3-6-14(7-4-12)19(23-18(24)10-5-13(2)22)16-9-8-15(21)11-17(16)20;/h3-4,6-9,11,13,19H,5,10,22H2,1-2H3,(H,23,24);1H
InChIKeyLVHKRFJADXUGJF-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.54
Rot. Bonds6

About 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride

4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 120562466) has the molecular formula C19H23Cl2FN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride
PubChem CID120562466
Molecular FormulaC19H23Cl2FN2O
Molecular Weight385.31 g/mol
Exact Mass384.12
IUPAC Name4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride
SMILESCc1ccc(C(NC(=O)CCC(C)N)c2ccc(F)cc2Cl)cc1.Cl
InChIInChI=1S/C19H22ClFN2O.ClH/c1-12-3-6-14(7-4-12)19(23-18(24)10-5-13(2)22)16-9-8-15(21)11-17(16)20;/h3-4,6-9,11,13,19H,5,10,22H2,1-2H3,(H,23,24);1H
InChIKeyLVHKRFJADXUGJF-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide
CID 120591938
1-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 111109492
N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119778756
4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120563884
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
CID 120560847
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
2-amino-N-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312872
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
CID 120562455
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
CID 120560763
methyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)propanoate
CID 103694392

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride (CID 120562466) is 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride is Cc1ccc(C(NC(=O)CCC(C)N)c2ccc(F)cc2Cl)cc1.Cl.
What is the InChIKey of 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is LVHKRFJADXUGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O.ClH/c1-12-3-6-14(7-4-12)19(23-18(24)10-5-13(2)22)16-9-8-15(21)11-17(16)20;/h3-4,6-9,11,13,19H,5,10,22H2,1-2H3,(H,23,24);1H.
What are the key properties of 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride?
4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 385.31 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120562466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).