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

C16H16ClFN2O — CID 115745652

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C16H16ClFN2O/c1-10-8-12(18)5-6-13(10)16(21)19-14-9-11(17)4-7-15(14)20(2)3/h4-9H,1-3H3,(H,19,21)
InChIKeyZXSSREYLSCRMQW-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.11
Rot. Bonds3

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

N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide (PubChem CID 115745652) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
PubChem CID115745652
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C16H16ClFN2O/c1-10-8-12(18)5-6-13(10)16(21)19-14-9-11(17)4-7-15(14)20(2)3/h4-9H,1-3H3,(H,19,21)
InChIKeyZXSSREYLSCRMQW-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide (CID 115745652) is N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide?
The InChIKey is ZXSSREYLSCRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-8-12(18)5-6-13(10)16(21)19-14-9-11(17)4-7-15(14)20(2)3/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).