4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride

C14H21ClF2N2O — CID 120562001

IUPAC4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride
SMILESCCN(Cc1c(F)cccc1F)C(=O)CCC(C)N.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-3-18(14(19)8-7-10(2)17)9-11-12(15)5-4-6-13(11)16;/h4-6,10H,3,7-9,17H2,1-2H3;1H
InChIKeyQAIKVBIDBSTBGK-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.86
Rot. Bonds6

About 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride

4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride (PubChem CID 120562001) has the molecular formula C14H21ClF2N2O and a molecular weight of 306.78 g/mol. Its IUPAC name is 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride
PubChem CID120562001
Molecular FormulaC14H21ClF2N2O
Molecular Weight306.78 g/mol
Exact Mass306.13
IUPAC Name4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride
SMILESCCN(Cc1c(F)cccc1F)C(=O)CCC(C)N.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-3-18(14(19)8-7-10(2)17)9-11-12(15)5-4-6-13(11)16;/h4-6,10H,3,7-9,17H2,1-2H3;1H
InChIKeyQAIKVBIDBSTBGK-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119951050
(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 119767637
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
cis-(1R,2S)-N-[3-[(2,6-difluorophenyl)methyl-ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95279796
4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride
CID 120566072
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide
CID 119767607

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride (CID 120562001) is 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride is CCN(Cc1c(F)cccc1F)C(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride?
The InChIKey is QAIKVBIDBSTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O.ClH/c1-3-18(14(19)8-7-10(2)17)9-11-12(15)5-4-6-13(11)16;/h4-6,10H,3,7-9,17H2,1-2H3;1H.
What are the key properties of 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride?
4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride has a molecular weight of 306.78 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride is sourced from PubChem (CID 120562001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).