N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide

C16H16ClFN2O2 — CID 78807126

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2N(C)C)cc1F
InChIInChI=1S/C16H16ClFN2O2/c1-20(2)14-6-5-11(17)9-13(14)19-16(21)10-4-7-15(22-3)12(18)8-10/h4-9H,1-3H3,(H,19,21)
InChIKeyICNSSMXODODJHI-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.81
Rot. Bonds4

About N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide (PubChem CID 78807126) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
PubChem CID78807126
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2N(C)C)cc1F
InChIInChI=1S/C16H16ClFN2O2/c1-20(2)14-6-5-11(17)9-13(14)19-16(21)10-4-7-15(22-3)12(18)8-10/h4-9H,1-3H3,(H,19,21)
InChIKeyICNSSMXODODJHI-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
CID 55337128
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide (CID 78807126) is N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2N(C)C)cc1F.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is ICNSSMXODODJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-20(2)14-6-5-11(17)9-13(14)19-16(21)10-4-7-15(22-3)12(18)8-10/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 322.77 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 78807126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).