N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide

C16H14F3NO3 — CID 110425434

IUPACN-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C16H14F3NO3/c1-20(9-4-7-12(22-2)13(8-9)23-3)16(21)10-5-6-11(17)15(19)14(10)18/h4-8H,1-3H3
InChIKeyBPKVUTTWSSKVNY-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.40
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide

N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide (PubChem CID 110425434) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
PubChem CID110425434
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C16H14F3NO3/c1-20(9-4-7-12(22-2)13(8-9)23-3)16(21)10-5-6-11(17)15(19)14(10)18/h4-8H,1-3H3
InChIKeyBPKVUTTWSSKVNY-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 119042265
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
5-chloro-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 28739149
N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
CID 13176318
[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110363823
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide (CID 110425434) is N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide is COc1ccc(N(C)C(=O)c2ccc(F)c(F)c2F)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide?
The InChIKey is BPKVUTTWSSKVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-20(9-4-7-12(22-2)13(8-9)23-3)16(21)10-5-6-11(17)15(19)14(10)18/h4-8H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide?
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide has a molecular weight of 325.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide is sourced from PubChem (CID 110425434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).