N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide

C21H22FN3O3 — CID 55887711

IUPACN-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCCCCC1=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C21H22FN3O3/c22-16-7-5-9-18(13-16)24-21(28)15-6-4-8-17(12-15)23-19(26)14-25-11-3-1-2-10-20(25)27/h4-9,12-13H,1-3,10-11,14H2,(H,23,26)(H,24,28)
InChIKeyFCRBYKQXBFYYSC-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.42
Rot. Bonds5

About N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide

N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide (PubChem CID 55887711) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
PubChem CID55887711
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCCCCC1=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C21H22FN3O3/c22-16-7-5-9-18(13-16)24-21(28)15-6-4-8-17(12-15)23-19(26)14-25-11-3-1-2-10-20(25)27/h4-9,12-13H,1-3,10-11,14H2,(H,23,26)(H,24,28)
InChIKeyFCRBYKQXBFYYSC-UHFFFAOYSA-N
XLogP3.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9067963
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoate
CID 31321337
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid
CID 119224754
3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55886811

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide (CID 55887711) is N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide is O=C(CN1CCCCCC1=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide?
The InChIKey is FCRBYKQXBFYYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-16-7-5-9-18(13-16)24-21(28)15-6-4-8-17(12-15)23-19(26)14-25-11-3-1-2-10-20(25)27/h4-9,12-13H,1-3,10-11,14H2,(H,23,26)(H,24,28).
What are the key properties of N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide?
N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide has a molecular weight of 383.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55887711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).