2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide

C15H13Cl2FN2O — CID 60934687

IUPAC2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-19-15(21)10-7-9(5-6-13(10)17)20-8-11-12(16)3-2-4-14(11)18/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyYPKRFYNTADGWBO-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.10
Rot. Bonds4

About 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide

2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide (PubChem CID 60934687) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
PubChem CID60934687
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-19-15(21)10-7-9(5-6-13(10)17)20-8-11-12(16)3-2-4-14(11)18/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyYPKRFYNTADGWBO-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 115951601
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]benzoate
CID 43087990
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
CID 43229432
2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
CID 60934816
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide (CID 60934687) is 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide?
The InChIKey is YPKRFYNTADGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-19-15(21)10-7-9(5-6-13(10)17)20-8-11-12(16)3-2-4-14(11)18/h2-7,20H,8H2,1H3,(H,19,21).
What are the key properties of 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide?
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide has a molecular weight of 327.19 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 60934687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).