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

C16H14Cl2FNO — CID 63390884

IUPACN-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1Cl)N(CCCl)Cc1ccccc1
InChIInChI=1S/C16H14Cl2FNO/c17-8-9-20(11-12-4-2-1-3-5-12)16(21)14-7-6-13(19)10-15(14)18/h1-7,10H,8-9,11H2
InChIKeyNQBFWYXKKCWVQT-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.36
Rot. Bonds5

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

N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide (PubChem CID 63390884) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
PubChem CID63390884
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC NameN-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1Cl)N(CCCl)Cc1ccccc1
InChIInChI=1S/C16H14Cl2FNO/c17-8-9-20(11-12-4-2-1-3-5-12)16(21)14-7-6-13(19)10-15(14)18/h1-7,10H,8-9,11H2
InChIKeyNQBFWYXKKCWVQT-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
N-benzyl-N-(2-chloroethyl)-2-fluoro-4-hydroxybenzamide
CID 107677531
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
CID 80655955
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide?
The IUPAC name of N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide (CID 63390884) is N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide?
The canonical SMILES for N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide is O=C(c1ccc(F)cc1Cl)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide?
The InChIKey is NQBFWYXKKCWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c17-8-9-20(11-12-4-2-1-3-5-12)16(21)14-7-6-13(19)10-15(14)18/h1-7,10H,8-9,11H2.
What are the key properties of N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide?
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide has a molecular weight of 326.20 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide is sourced from PubChem (CID 63390884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).