N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide

C20H24FNO2 — CID 171106905

IUPACN-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)C(C)CC)ccc1-c1cccc(F)c1
InChIInChI=1S/C20H24FNO2/c1-5-14(3)22(4)20(23)16-10-11-18(19(13-16)24-6-2)15-8-7-9-17(21)12-15/h7-14H,5-6H2,1-4H3
InChIKeyMKBLZCMDCJAGCS-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.76
Rot. Bonds6

About N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide

N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 171106905) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID171106905
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC NameN-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)C(C)CC)ccc1-c1cccc(F)c1
InChIInChI=1S/C20H24FNO2/c1-5-14(3)22(4)20(23)16-10-11-18(19(13-16)24-6-2)15-8-7-9-17(21)12-15/h7-14H,5-6H2,1-4H3
InChIKeyMKBLZCMDCJAGCS-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-4-(3-fluorophenyl)-N-[(1S)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020764
3-ethoxy-4-(3-fluorophenyl)-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020763
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 165385355
3-ethoxy-N-[(1R)-1-[4-(fluoromethyl)-1H-indazol-7-yl]-2-methylpropyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 171106815
3-ethoxy-4-(3-fluorophenyl)-N-[1-(4-isocyano-1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170521505
3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide
CID 177350202
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(R)-(1-methylazetidin-3-yl)-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 177287073
3-ethoxy-4-(3-fluorophenyl)-N-(2-hydroxypropyl)-N-[(1R)-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide
CID 177350312
(3R)-3-[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]-3-(1H-indazol-7-yl)-N,N-dimethylpropan-1-amine oxide
CID 177350230
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1-methyl-1-oxidoazetidin-1-ium-3-yl)-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 177350270
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
CID 171106955

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide (CID 171106905) is N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)C(C)CC)ccc1-c1cccc(F)c1.
What is the InChIKey of N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is MKBLZCMDCJAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-5-14(3)22(4)20(23)16-10-11-18(19(13-16)24-6-2)15-8-7-9-17(21)12-15/h7-14H,5-6H2,1-4H3.
What are the key properties of N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 329.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 171106905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).