2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide

C12H16F2N2O2 — CID 119290626

IUPAC2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-3-4-10(15)12(17)16-7-5-8(13)11(18-2)9(14)6-7/h5-6,10H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyPAZHGTCCZWXWOV-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide

2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide (PubChem CID 119290626) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
PubChem CID119290626
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-3-4-10(15)12(17)16-7-5-8(13)11(18-2)9(14)6-7/h5-6,10H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyPAZHGTCCZWXWOV-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride
CID 119290625
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
methyl 5-[[(2S)-2-aminopentanoyl]amino]-2,4-difluorobenzoate
CID 107568719
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide?
The IUPAC name of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide (CID 119290626) is 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide?
The canonical SMILES for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide is CCCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1.
What is the InChIKey of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide?
The InChIKey is PAZHGTCCZWXWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-3-4-10(15)12(17)16-7-5-8(13)11(18-2)9(14)6-7/h5-6,10H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide?
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide has a molecular weight of 258.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide is sourced from PubChem (CID 119290626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).