4-fluoro-N,N-bis(2-methylpropyl)benzamide

C15H22FNO — CID 17386163

IUPAC4-fluoro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-11(2)9-17(10-12(3)4)15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyJRFJJVWXJKYQNZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.58
Rot. Bonds5

About 4-fluoro-N,N-bis(2-methylpropyl)benzamide

4-fluoro-N,N-bis(2-methylpropyl)benzamide (PubChem CID 17386163) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-fluoro-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N,N-bis(2-methylpropyl)benzamide
PubChem CID17386163
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-fluoro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-11(2)9-17(10-12(3)4)15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyJRFJJVWXJKYQNZ-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
CID 61378658
3-[(4-fluorobenzoyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82324892
N-(3-amino-3-hydroxyiminopropyl)-4-fluoro-N-(2-methylpropyl)benzamide
CID 76917276
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021
4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4885893
3-[(4-fluorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82324895
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
2-[2-[[2-[(4-fluorobenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 4690946

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 4-fluoro-N,N-bis(2-methylpropyl)benzamide (CID 17386163) is 4-fluoro-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 4-fluoro-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is JRFJJVWXJKYQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)9-17(10-12(3)4)15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 4-fluoro-N,N-bis(2-methylpropyl)benzamide?
4-fluoro-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 251.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 17386163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).