N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide

C16H16ClFN2O — CID 104859477

IUPACN-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
SMILESNCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O/c17-15-10-13(18)6-7-14(15)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,19H2
InChIKeyYBZWXMYHEYIBEI-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.08
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide

N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide (PubChem CID 104859477) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
PubChem CID104859477
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
SMILESNCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O/c17-15-10-13(18)6-7-14(15)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,19H2
InChIKeyYBZWXMYHEYIBEI-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
CID 107674367
N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
CID 80655955
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053
[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 23988753

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide (CID 104859477) is N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide is NCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide?
The InChIKey is YBZWXMYHEYIBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-15-10-13(18)6-7-14(15)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,19H2.
What are the key properties of N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide?
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 104859477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).