N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide

C15H15FN2O — CID 16792077

IUPACN-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
SMILESCC(N)c1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O/c1-10(17)11-4-3-7-14(9-11)18-15(19)12-5-2-6-13(16)8-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyKNNODMYZSPLMEU-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.10
Rot. Bonds3

About N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide

N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide (PubChem CID 16792077) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
PubChem CID16792077
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
SMILESCC(N)c1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O/c1-10(17)11-4-3-7-14(9-11)18-15(19)12-5-2-6-13(16)8-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyKNNODMYZSPLMEU-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide
CID 107702970
N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63048072
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
CID 62650803
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507646
N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
CID 170860390
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide (CID 16792077) is N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide is CC(N)c1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide?
The InChIKey is KNNODMYZSPLMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10(17)11-4-3-7-14(9-11)18-15(19)12-5-2-6-13(16)8-12/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide?
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide has a molecular weight of 258.30 g/mol, XLogP of 3.10, 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]-3-fluorobenzamide is sourced from PubChem (CID 16792077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).