4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride

C14H21Cl3N2O — CID 120561607

IUPAC4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(C)Cc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-9(17)3-6-14(19)18-10(2)7-11-4-5-12(15)8-13(11)16;/h4-5,8-10H,3,6-7,17H2,1-2H3,(H,18,19);1H
InChIKeyPURNZEKPMRQEAG-UHFFFAOYSA-N
MW339.69 g/mol
LogP3.59
Rot. Bonds6

About 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride

4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride (PubChem CID 120561607) has the molecular formula C14H21Cl3N2O and a molecular weight of 339.69 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
PubChem CID120561607
Molecular FormulaC14H21Cl3N2O
Molecular Weight339.69 g/mol
Exact Mass338.07
IUPAC Name4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(C)Cc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-9(17)3-6-14(19)18-10(2)7-11-4-5-12(15)8-13(11)16;/h4-5,8-10H,3,6-7,17H2,1-2H3,(H,18,19);1H
InChIKeyPURNZEKPMRQEAG-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
CID 95286380
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 95690788
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119308693
1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505680
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
(2S,5R)-5-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120790579

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride (CID 120561607) is 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride is CC(N)CCC(=O)NC(C)Cc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride?
The InChIKey is PURNZEKPMRQEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O.ClH/c1-9(17)3-6-14(19)18-10(2)7-11-4-5-12(15)8-13(11)16;/h4-5,8-10H,3,6-7,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride?
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 3.59, 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-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 120561607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).