4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride

C15H23ClF2N2O — CID 120563884

IUPAC4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(c1ccc(F)cc1F)C(C)C.Cl
InChIInChI=1S/C15H22F2N2O.ClH/c1-9(2)15(19-14(20)7-4-10(3)18)12-6-5-11(16)8-13(12)17;/h5-6,8-10,15H,4,7,18H2,1-3H3,(H,19,20);1H
InChIKeyLRMXNRWGTUKQIY-UHFFFAOYSA-N
MW320.81 g/mol
LogP3.33
Rot. Bonds6

About 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride

4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride (PubChem CID 120563884) has the molecular formula C15H23ClF2N2O and a molecular weight of 320.81 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
PubChem CID120563884
Molecular FormulaC15H23ClF2N2O
Molecular Weight320.81 g/mol
Exact Mass320.15
IUPAC Name4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(c1ccc(F)cc1F)C(C)C.Cl
InChIInChI=1S/C15H22F2N2O.ClH/c1-9(2)15(19-14(20)7-4-10(3)18)12-6-5-11(16)8-13(12)17;/h5-6,8-10,15H,4,7,18H2,1-3H3,(H,19,20);1H
InChIKeyLRMXNRWGTUKQIY-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
CID 119816056
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816092
4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120562466
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638123
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
CID 119780239
(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 124854398

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride (CID 120563884) is 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride is CC(N)CCC(=O)NC(c1ccc(F)cc1F)C(C)C.Cl.
What is the InChIKey of 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride?
The InChIKey is LRMXNRWGTUKQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O.ClH/c1-9(2)15(19-14(20)7-4-10(3)18)12-6-5-11(16)8-13(12)17;/h5-6,8-10,15H,4,7,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride?
4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride has a molecular weight of 320.81 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride is sourced from PubChem (CID 120563884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).