N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide

C15H13Cl2FN2O — CID 43690236

IUPACN-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-9(21)20-15-6-5-10(7-13(15)17)19-8-11-12(16)3-2-4-14(11)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyOCRJEIUTISGQHI-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.70
Rot. Bonds4

About N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide

N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide (PubChem CID 43690236) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
PubChem CID43690236
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC NameN-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-9(21)20-15-6-5-10(7-13(15)17)19-8-11-12(16)3-2-4-14(11)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyOCRJEIUTISGQHI-UHFFFAOYSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]benzoate
CID 43087990
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
CID 115904078
N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
CID 43229432
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
N-[2-chloro-4-(hexylamino)phenyl]acetamide
CID 43690140
N-[2-chloro-4-(heptylamino)phenyl]acetamide
CID 43690209
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide (CID 43690236) is N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2c(F)cccc2Cl)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide?
The InChIKey is OCRJEIUTISGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-9(21)20-15-6-5-10(7-13(15)17)19-8-11-12(16)3-2-4-14(11)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide?
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide has a molecular weight of 327.19 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43690236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).