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

C20H25Cl3N2O — CID 164766046

IUPACN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride
SMILESCCCC(NC)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cl
InChIInChI=1S/C20H24Cl2N2O.ClH/c1-3-4-19(23-2)20(25)24-12-11-14-5-7-15(8-6-14)16-9-10-17(21)18(22)13-16;/h5-10,13,19,23H,3-4,11-12H2,1-2H3,(H,24,25);1H
InChIKeyINTFIQDUIKLOGG-UHFFFAOYSA-N
MW415.79 g/mol
LogP5.13
Rot. Bonds8

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

N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride (PubChem CID 164766046) has the molecular formula C20H25Cl3N2O and a molecular weight of 415.79 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride
PubChem CID164766046
Molecular FormulaC20H25Cl3N2O
Molecular Weight415.79 g/mol
Exact Mass414.10
IUPAC NameN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride
SMILESCCCC(NC)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cl
InChIInChI=1S/C20H24Cl2N2O.ClH/c1-3-4-19(23-2)20(25)24-12-11-14-5-7-15(8-6-14)16-9-10-17(21)18(22)13-16;/h5-10,13,19,23H,3-4,11-12H2,1-2H3,(H,24,25);1H
InChIKeyINTFIQDUIKLOGG-UHFFFAOYSA-N
XLogP5.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.79
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide
CID 162721237
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol
CID 142207459
(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
CID 162721230
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166625589
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
CID 110478308
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562
2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
CID 122039825
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride?
The IUPAC name of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride (CID 164766046) is N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride is CCCC(NC)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cl.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride?
The InChIKey is INTFIQDUIKLOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O.ClH/c1-3-4-19(23-2)20(25)24-12-11-14-5-7-15(8-6-14)16-9-10-17(21)18(22)13-16;/h5-10,13,19,23H,3-4,11-12H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride?
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride has a molecular weight of 415.79 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride is sourced from PubChem (CID 164766046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).