N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide

C23H24N2O4 — CID 20926272

IUPACN-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(C(=O)N3CCCCCC3)oc3ccccc23)c1
InChIInChI=1S/C23H24N2O4/c1-28-17-10-8-9-16(15-17)22(26)24-20-18-11-4-5-12-19(18)29-21(20)23(27)25-13-6-2-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,24,26)
InChIKeyUALXPDDOGXDUIC-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.71
Rot. Bonds4

About N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide

N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide (PubChem CID 20926272) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
PubChem CID20926272
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(C(=O)N3CCCCCC3)oc3ccccc23)c1
InChIInChI=1S/C23H24N2O4/c1-28-17-10-8-9-16(15-17)22(26)24-20-18-11-4-5-12-19(18)29-21(20)23(27)25-13-6-2-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,24,26)
InChIKeyUALXPDDOGXDUIC-UHFFFAOYSA-N
XLogP4.71
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 18092742
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide (CID 20926272) is N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2c(C(=O)N3CCCCCC3)oc3ccccc23)c1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide?
The InChIKey is UALXPDDOGXDUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-17-10-8-9-16(15-17)22(26)24-20-18-11-4-5-12-19(18)29-21(20)23(27)25-13-6-2-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,24,26).
What are the key properties of N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide?
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 20926272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).