4-fluoro-3-methyl-N-(3-methylbutyl)benzamide

C13H18FNO — CID 63212522

IUPAC4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
SMILESCc1cc(C(=O)NCCC(C)C)ccc1F
InChIInChI=1S/C13H18FNO/c1-9(2)6-7-15-13(16)11-4-5-12(14)10(3)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyMGOUWVMDXSTBSW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.91
Rot. Bonds4

About 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide

4-fluoro-3-methyl-N-(3-methylbutyl)benzamide (PubChem CID 63212522) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
PubChem CID63212522
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
SMILESCc1cc(C(=O)NCCC(C)C)ccc1F
InChIInChI=1S/C13H18FNO/c1-9(2)6-7-15-13(16)11-4-5-12(14)10(3)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyMGOUWVMDXSTBSW-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110979349
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
4-[(3-fluoro-4-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80539086
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide (CID 63212522) is 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide is Cc1cc(C(=O)NCCC(C)C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is MGOUWVMDXSTBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)6-7-15-13(16)11-4-5-12(14)10(3)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide?
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 223.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 63212522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).