N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide

C16H17FN2O — CID 115376734

IUPACN-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(N(C)C)c2)c1F
InChIInChI=1S/C16H17FN2O/c1-11-6-4-9-14(15(11)17)16(20)18-12-7-5-8-13(10-12)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyCONNHILUNJDPCQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.45
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide

N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide (PubChem CID 115376734) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
PubChem CID115376734
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(N(C)C)c2)c1F
InChIInChI=1S/C16H17FN2O/c1-11-6-4-9-14(15(11)17)16(20)18-12-7-5-8-13(10-12)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyCONNHILUNJDPCQ-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115375733
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78906644
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide (CID 115376734) is N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(N(C)C)c2)c1F.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide?
The InChIKey is CONNHILUNJDPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-6-4-9-14(15(11)17)16(20)18-12-7-5-8-13(10-12)19(2)3/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide?
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 115376734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).