[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

C15H17ClN2O4 — CID 146296913

IUPAC[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(CNC(=O)COc3ccc(Cl)cc3)(C1)C2
InChIInChI=1S/C15H17ClN2O4/c16-10-1-3-11(4-2-10)22-5-12(19)17-9-14-6-15(7-14,8-14)18-13(20)21/h1-4,18H,5-9H2,(H,17,19)(H,20,21)
InChIKeyCDHFHFVPKCGDRA-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.03
Rot. Bonds6

About [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (PubChem CID 146296913) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.

Molecular Properties

Compound Name[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
PubChem CID146296913
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(CNC(=O)COc3ccc(Cl)cc3)(C1)C2
InChIInChI=1S/C15H17ClN2O4/c16-10-1-3-11(4-2-10)22-5-12(19)17-9-14-6-15(7-14,8-14)18-13(20)21/h1-4,18H,5-9H2,(H,17,19)(H,20,21)
InChIKeyCDHFHFVPKCGDRA-UHFFFAOYSA-N
XLogP2.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid with MolForge

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Related Compounds

3-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methylpropanamide
CID 160534031
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
CID 114758307
2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159936624
2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522306
2-(4-chlorophenoxy)-N-[3-[[2-(3-methylbutan-2-yloxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137380538
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide
CID 137380477
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide
CID 137380567

Frequently Asked Questions

What is the IUPAC name of [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The IUPAC name of [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (CID 146296913) is [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.
What is the SMILES notation for [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The canonical SMILES for [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is O=C(O)NC12CC(CNC(=O)COc3ccc(Cl)cc3)(C1)C2.
What is the InChIKey of [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The InChIKey is CDHFHFVPKCGDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c16-10-1-3-11(4-2-10)22-5-12(19)17-9-14-6-15(7-14,8-14)18-13(20)21/h1-4,18H,5-9H2,(H,17,19)(H,20,21).
What are the key properties of [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid has a molecular weight of 324.76 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is sourced from PubChem (CID 146296913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).