N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide

C16H17FN2O — CID 28769273

IUPACN-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c1-12-2-4-13(5-3-12)16(20)19(11-10-18)15-8-6-14(17)7-9-15/h2-9H,10-11,18H2,1H3
InChIKeyYTEWVORMWBEWJD-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.74
Rot. Bonds4

About N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide

N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide (PubChem CID 28769273) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
PubChem CID28769273
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c1-12-2-4-13(5-3-12)16(20)19(11-10-18)15-8-6-14(17)7-9-15/h2-9H,10-11,18H2,1H3
InChIKeyYTEWVORMWBEWJD-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-fluoro-N-(4-fluorophenyl)benzamide
CID 28769279
1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
CID 770559
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 28768964
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
CID 175385213
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
4-[butyl-(4-methylbenzoyl)amino]benzoic acid
CID 20787968
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 63185035

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide (CID 28769273) is N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)N(CCN)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide?
The InChIKey is YTEWVORMWBEWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12-2-4-13(5-3-12)16(20)19(11-10-18)15-8-6-14(17)7-9-15/h2-9H,10-11,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide?
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide is sourced from PubChem (CID 28769273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).