4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide

C16H21ClN2O3 — CID 87004616

IUPAC4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)COC2CCCCC2)c1
InChIInChI=1S/C16H21ClN2O3/c1-18-16(21)11-7-8-13(17)14(9-11)19-15(20)10-22-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyPBPRPPYCPNBZFZ-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide

4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide (PubChem CID 87004616) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide
PubChem CID87004616
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)COC2CCCCC2)c1
InChIInChI=1S/C16H21ClN2O3/c1-18-16(21)11-7-8-13(17)14(9-11)19-15(20)10-22-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyPBPRPPYCPNBZFZ-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-cyclohexyloxyacetamide
CID 87000449
4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875333
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
N-(2-amino-5-chlorophenyl)-2-cycloheptyloxyacetamide
CID 61069352
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284
2-cyclohexyloxy-N-(2-hydroxyphenyl)acetamide
CID 47246242
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
CID 43799312
4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
CID 43721059
methyl 4-chloro-3-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942636
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
N-(2-acetylphenyl)-2-cyclohexyloxyacetamide
CID 47242389

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide (CID 87004616) is 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NC(=O)COC2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide?
The InChIKey is PBPRPPYCPNBZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-18-16(21)11-7-8-13(17)14(9-11)19-15(20)10-22-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide?
4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide has a molecular weight of 324.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide is sourced from PubChem (CID 87004616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).