4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide

C20H24FNO2 — CID 25440540

IUPAC4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
SMILESCC(C)CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2/c1-14(2)4-5-15(3)22-20(23)16-6-10-18(11-7-16)24-19-12-8-17(21)9-13-19/h6-15H,4-5H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyDOLRJYUMALLQDS-OAHLLOKOSA-N
MW329.42 g/mol
LogP5.17
Rot. Bonds7

About 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide

4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide (PubChem CID 25440540) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
PubChem CID25440540
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
SMILESCC(C)CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2/c1-14(2)4-5-15(3)22-20(23)16-6-10-18(11-7-16)24-19-12-8-17(21)9-13-19/h6-15H,4-5H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyDOLRJYUMALLQDS-OAHLLOKOSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
4-fluoro-N-(4-oxobutan-2-yl)benzamide
CID 58870084
4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide
CID 134055978
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide (CID 25440540) is 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide is CC(C)CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide?
The InChIKey is DOLRJYUMALLQDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-14(2)4-5-15(3)22-20(23)16-6-10-18(11-7-16)24-19-12-8-17(21)9-13-19/h6-15H,4-5H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide?
4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide has a molecular weight of 329.42 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide is sourced from PubChem (CID 25440540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).