5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide

C22H25ClN2O3 — CID 57093421

IUPAC5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide
SMILESNC(=O)c1cc(CNC(=O)c2cccc(Cl)c2)ccc1OCC1CCCCC1
InChIInChI=1S/C22H25ClN2O3/c23-18-8-4-7-17(12-18)22(27)25-13-16-9-10-20(19(11-16)21(24)26)28-14-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13-14H2,(H2,24,26)(H,25,27)
InChIKeyAUVARCLIIVUQEX-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.33
Rot. Bonds7

About 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide

5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide (PubChem CID 57093421) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide.

Molecular Properties

Compound Name5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide
PubChem CID57093421
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide
SMILESNC(=O)c1cc(CNC(=O)c2cccc(Cl)c2)ccc1OCC1CCCCC1
InChIInChI=1S/C22H25ClN2O3/c23-18-8-4-7-17(12-18)22(27)25-13-16-9-10-20(19(11-16)21(24)26)28-14-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13-14H2,(H2,24,26)(H,25,27)
InChIKeyAUVARCLIIVUQEX-UHFFFAOYSA-N
XLogP4.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
CID 71133700
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192104
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide?
The IUPAC name of 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide (CID 57093421) is 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide.
What is the SMILES notation for 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide?
The canonical SMILES for 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide is NC(=O)c1cc(CNC(=O)c2cccc(Cl)c2)ccc1OCC1CCCCC1.
What is the InChIKey of 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide?
The InChIKey is AUVARCLIIVUQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c23-18-8-4-7-17(12-18)22(27)25-13-16-9-10-20(19(11-16)21(24)26)28-14-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13-14H2,(H2,24,26)(H,25,27).
What are the key properties of 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide?
5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide has a molecular weight of 400.91 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide is sourced from PubChem (CID 57093421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).