N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide

C15H14F2N2O — CID 62650803

IUPACN-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
SMILESCC(N)c1cccc(NC(=O)c2cccc(F)c2F)c1
InChIInChI=1S/C15H14F2N2O/c1-9(18)10-4-2-5-11(8-10)19-15(20)12-6-3-7-13(16)14(12)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyWZCHNTOMSCQZLW-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.24
Rot. Bonds3

About N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide

N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide (PubChem CID 62650803) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
PubChem CID62650803
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
SMILESCC(N)c1cccc(NC(=O)c2cccc(F)c2F)c1
InChIInChI=1S/C15H14F2N2O/c1-9(18)10-4-2-5-11(8-10)19-15(20)12-6-3-7-13(16)14(12)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyWZCHNTOMSCQZLW-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845
N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63048072
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide
CID 107702970
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
N-[3-(1-aminoethyl)phenyl]pyridine-2-carboxamide
CID 16785087
2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
CID 103939983
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide (CID 62650803) is N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide is CC(N)c1cccc(NC(=O)c2cccc(F)c2F)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide?
The InChIKey is WZCHNTOMSCQZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9(18)10-4-2-5-11(8-10)19-15(20)12-6-3-7-13(16)14(12)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide?
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide has a molecular weight of 276.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide is sourced from PubChem (CID 62650803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).