4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide

C11H14F2N2O2 — CID 119290632

IUPAC4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
SMILESCOc1c(F)cc(NC(=O)CCCN)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-17-11-8(12)5-7(6-9(11)13)15-10(16)3-2-4-14/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyYHZXCBXLQAGWSB-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.65
Rot. Bonds5

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

4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide (PubChem CID 119290632) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
PubChem CID119290632
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
SMILESCOc1c(F)cc(NC(=O)CCCN)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-17-11-8(12)5-7(6-9(11)13)15-10(16)3-2-4-14/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyYHZXCBXLQAGWSB-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
N-(3,5-difluoro-4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042635
4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide
CID 115155164
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
CID 61273837
5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
CID 115163818
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide (CID 119290632) is 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide is COc1c(F)cc(NC(=O)CCCN)cc1F.
What is the InChIKey of 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide?
The InChIKey is YHZXCBXLQAGWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-17-11-8(12)5-7(6-9(11)13)15-10(16)3-2-4-14/h5-6H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide?
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide has a molecular weight of 244.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide is sourced from PubChem (CID 119290632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).