N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide

C12H16F2N2O2 — CID 114163031

IUPACN-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
SMILESCOCC(N)CCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2/c1-18-7-9(15)4-5-16-12(17)10-6-8(13)2-3-11(10)14/h2-3,6,9H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyBNMONHOVGCDKRR-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.06
Rot. Bonds6

About N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide

N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide (PubChem CID 114163031) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
PubChem CID114163031
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
SMILESCOCC(N)CCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2/c1-18-7-9(15)4-5-16-12(17)10-6-8(13)2-3-11(10)14/h2-3,6,9H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyBNMONHOVGCDKRR-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
CID 106243052
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide
CID 114310126
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
N-(3-bromo-4-methoxybutyl)-5-fluoro-2-methylbenzamide
CID 106244956
2-bromo-N-(3-bromo-4-methoxybutyl)-5-fluorobenzamide
CID 114163364
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide (CID 114163031) is N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide is COCC(N)CCNC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide?
The InChIKey is BNMONHOVGCDKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-18-7-9(15)4-5-16-12(17)10-6-8(13)2-3-11(10)14/h2-3,6,9H,4-5,7,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide?
N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide has a molecular weight of 258.27 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide is sourced from PubChem (CID 114163031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).