N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide

C24H30ClN3O2 — CID 23761916

IUPACN-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCC(CNC(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C24H30ClN3O2/c25-22-9-5-4-8-21(22)17-28-24(30)27-16-20-12-10-19(11-13-20)15-26-23(29)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2,(H,26,29)(H2,27,28,30)
InChIKeyKQYFNRLWPAMDGQ-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.30
Rot. Bonds8

About N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide

N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide (PubChem CID 23761916) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide
PubChem CID23761916
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCC(CNC(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C24H30ClN3O2/c25-22-9-5-4-8-21(22)17-28-24(30)27-16-20-12-10-19(11-13-20)15-26-23(29)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2,(H,26,29)(H2,27,28,30)
InChIKeyKQYFNRLWPAMDGQ-UHFFFAOYSA-N
XLogP4.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 51130150
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
CID 108903046
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide (CID 23761916) is N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CCC(CNC(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide?
The InChIKey is KQYFNRLWPAMDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c25-22-9-5-4-8-21(22)17-28-24(30)27-16-20-12-10-19(11-13-20)15-26-23(29)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2,(H,26,29)(H2,27,28,30).
What are the key properties of N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide?
N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide has a molecular weight of 427.98 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 23761916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).