N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide

C15H14F2N2O — CID 16785051

IUPACN-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide
SMILESCC(N)c1ccccc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H14F2N2O/c1-9(18)11-4-2-3-5-14(11)19-15(20)12-7-6-10(16)8-13(12)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyMPWQDNMDBNURCJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.24
Rot. Bonds3

About N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide

N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide (PubChem CID 16785051) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide
PubChem CID16785051
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide
SMILESCC(N)c1ccccc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H14F2N2O/c1-9(18)11-4-2-3-5-14(11)19-15(20)12-7-6-10(16)8-13(12)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyMPWQDNMDBNURCJ-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-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107014627
2-fluoro-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 103602982
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide
CID 61092146
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-[2-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16791890
N-[2-(1-aminoethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 81445316
2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide
CID 70188641
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide (CID 16785051) is N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide is CC(N)c1ccccc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide?
The InChIKey is MPWQDNMDBNURCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9(18)11-4-2-3-5-14(11)19-15(20)12-7-6-10(16)8-13(12)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide?
N-[2-(1-aminoethyl)phenyl]-2,4-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-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 16785051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).