2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride

C12H17Cl2FN2O — CID 119673993

IUPAC2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(Cl)cc1F.Cl
InChIInChI=1S/C12H16ClFN2O.ClH/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14;/h4-7,11H,3,15H2,1-2H3,(H,16,17);1H
InChIKeyRRYZHSVUNFSCRI-UHFFFAOYSA-N
MW295.19 g/mol
LogP3.21
Rot. Bonds4

About 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride

2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride (PubChem CID 119673993) has the molecular formula C12H17Cl2FN2O and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
PubChem CID119673993
Molecular FormulaC12H17Cl2FN2O
Molecular Weight295.19 g/mol
Exact Mass294.07
IUPAC Name2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(Cl)cc1F.Cl
InChIInChI=1S/C12H16ClFN2O.ClH/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14;/h4-7,11H,3,15H2,1-2H3,(H,16,17);1H
InChIKeyRRYZHSVUNFSCRI-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-fluorobenzoic acid
CID 63188226
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoic acid
CID 61158389
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoate
CID 61173703
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride
CID 119812881
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
methyl 3-[(2-amino-3-methylpentanoyl)amino]-4-fluorobenzoate
CID 43703145
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845
(2S)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 61471009

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride (CID 119673993) is 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(Cl)cc1F.Cl.
What is the InChIKey of 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride?
The InChIKey is RRYZHSVUNFSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O.ClH/c1-3-7(2)11(15)12(17)16-10-5-4-8(13)6-9(10)14;/h4-7,11H,3,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride?
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride has a molecular weight of 295.19 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119673993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).