4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide

C21H25N3O2 — CID 38105181

IUPAC4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O2/c22-20(25)17-9-11-19(12-10-17)23-21(26)18-7-5-16(6-8-18)15-24-13-3-1-2-4-14-24/h5-12H,1-4,13-15H2,(H2,22,25)(H,23,26)
InChIKeyULBUELFZJJHHBU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.41
Rot. Bonds5

About 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide

4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide (PubChem CID 38105181) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
PubChem CID38105181
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O2/c22-20(25)17-9-11-19(12-10-17)23-21(26)18-7-5-16(6-8-18)15-24-13-3-1-2-4-14-24/h5-12H,1-4,13-15H2,(H2,22,25)(H,23,26)
InChIKeyULBUELFZJJHHBU-UHFFFAOYSA-N
XLogP3.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 174503984
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 108762001
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41468608
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide (CID 38105181) is 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide is NC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide?
The InChIKey is ULBUELFZJJHHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-20(25)17-9-11-19(12-10-17)23-21(26)18-7-5-16(6-8-18)15-24-13-3-1-2-4-14-24/h5-12H,1-4,13-15H2,(H2,22,25)(H,23,26).
What are the key properties of 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide?
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide is sourced from PubChem (CID 38105181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).