2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide

C12H16FNO — CID 130223984

IUPAC2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)c(F)c1C
InChIInChI=1S/C12H16FNO/c1-7(2)14-12(15)10-6-5-8(3)9(4)11(10)13/h5-7H,1-4H3,(H,14,15)
InChIKeyWKLUYUSMQKSLOB-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.58
Rot. Bonds2

About 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide

2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide (PubChem CID 130223984) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
PubChem CID130223984
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)c(F)c1C
InChIInChI=1S/C12H16FNO/c1-7(2)14-12(15)10-6-5-8(3)9(4)11(10)13/h5-7H,1-4H3,(H,14,15)
InChIKeyWKLUYUSMQKSLOB-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3,4-dimethylbenzoic acid
CID 58240541
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228
6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide
CID 176965081
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide
CID 131110604

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide (CID 130223984) is 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)NC(C)C)c(F)c1C.
What is the InChIKey of 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide?
The InChIKey is WKLUYUSMQKSLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7(2)14-12(15)10-6-5-8(3)9(4)11(10)13/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide?
2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide has a molecular weight of 209.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 130223984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).