2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide

C15H22ClFN2O — CID 119325016

IUPAC2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
SMILESCCCC(N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H22ClFN2O/c1-4-5-13(18)14(20)19-9-15(2,3)11-7-6-10(17)8-12(11)16/h6-8,13H,4-5,9,18H2,1-3H3,(H,19,20)
InChIKeyCVMRZSRXOKSEPT-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.00
Rot. Bonds6

About 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide

2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide (PubChem CID 119325016) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
PubChem CID119325016
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC Name2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
SMILESCCCC(N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H22ClFN2O/c1-4-5-13(18)14(20)19-9-15(2,3)11-7-6-10(17)8-12(11)16/h6-8,13H,4-5,9,18H2,1-3H3,(H,19,20)
InChIKeyCVMRZSRXOKSEPT-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide
CID 119325004
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
CID 111122934
4-[1-amino-2-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762957
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111569104
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
CID 119339882
3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119786045
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
CID 119773059
2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride
CID 119309892
2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 146131621

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide (CID 119325016) is 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide is CCCC(N)C(=O)NCC(C)(C)c1ccc(F)cc1Cl.
What is the InChIKey of 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide?
The InChIKey is CVMRZSRXOKSEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-4-5-13(18)14(20)19-9-15(2,3)11-7-6-10(17)8-12(11)16/h6-8,13H,4-5,9,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide?
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide has a molecular weight of 300.81 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide is sourced from PubChem (CID 119325016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).