2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride

C19H23Cl3N2O — CID 163198556

IUPAC2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cl
InChIInChI=1S/C19H22Cl2N2O.ClH/c1-2-3-18(22)19(24)23-11-10-13-4-6-14(7-5-13)15-8-9-16(20)17(21)12-15;/h4-9,12,18H,2-3,10-11,22H2,1H3,(H,23,24);1H
InChIKeyABDRXECKZHEXTL-UHFFFAOYSA-N
MW401.77 g/mol
LogP4.87
Rot. Bonds7

About 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride

2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride (PubChem CID 163198556) has the molecular formula C19H23Cl3N2O and a molecular weight of 401.77 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride
PubChem CID163198556
Molecular FormulaC19H23Cl3N2O
Molecular Weight401.77 g/mol
Exact Mass400.09
IUPAC Name2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cl
InChIInChI=1S/C19H22Cl2N2O.ClH/c1-2-3-18(22)19(24)23-11-10-13-4-6-14(7-5-13)15-8-9-16(20)17(21)12-15;/h4-9,12,18H,2-3,10-11,22H2,1H3,(H,23,24);1H
InChIKeyABDRXECKZHEXTL-UHFFFAOYSA-N
XLogP4.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 21328050
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 14810952
2-(3,4-Dichloro-phenyl)-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide
CID 6712729
2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-piperidin-1-yl)-ethanone
CID 14810949
N-{1-[4-(3,4-Dichloro-benzyl)-piperidin-1-ylmethyl]-2-methyl-propyl}-4-methyl-benzamide
CID 22257689
2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 24758518
2-(4-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 57888832
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(4-methylphenyl)acetamide
CID 57889255
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(4-methylphenyl)propanamide
CID 57889664
N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide
CID 305114
N-[1-(3,4-dichlorobenzyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 11202371

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride (CID 163198556) is 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride?
The InChIKey is ABDRXECKZHEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O.ClH/c1-2-3-18(22)19(24)23-11-10-13-4-6-14(7-5-13)15-8-9-16(20)17(21)12-15;/h4-9,12,18H,2-3,10-11,22H2,1H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride?
2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride has a molecular weight of 401.77 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 163198556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).