4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide

C21H23ClN2O4 — CID 24614600

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(c3ccccc3)CCC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H23ClN2O4/c1-27-17-11-14(10-16(22)19(17)28-12-18(23)25)20(26)24-13-21(8-5-9-21)15-6-3-2-4-7-15/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H2,23,25)(H,24,26)
InChIKeyZVNSFHLBYHTLAR-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.06
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide (PubChem CID 24614600) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
PubChem CID24614600
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(c3ccccc3)CCC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H23ClN2O4/c1-27-17-11-14(10-16(22)19(17)28-12-18(23)25)20(26)24-13-21(8-5-9-21)15-6-3-2-4-7-15/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H2,23,25)(H,24,26)
InChIKeyZVNSFHLBYHTLAR-UHFFFAOYSA-N
XLogP3.06
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide (CID 24614600) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide is COc1cc(C(=O)NCC2(c3ccccc3)CCC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide?
The InChIKey is ZVNSFHLBYHTLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-27-17-11-14(10-16(22)19(17)28-12-18(23)25)20(26)24-13-21(8-5-9-21)15-6-3-2-4-7-15/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide has a molecular weight of 402.88 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 24614600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).