3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide

C25H32Cl2N2O2 — CID 142774735

IUPAC3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)N1CC(OC(c2ccccc2)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C25H32Cl2N2O2/c1-24(2,3)16-25(4,5)28-23(30)29-14-19(15-29)31-22(17-9-7-6-8-10-17)20-12-11-18(26)13-21(20)27/h6-13,19,22H,14-16H2,1-5H3,(H,28,30)
InChIKeyNKAHJICGWZLEKY-UHFFFAOYSA-N
MW463.45 g/mol
LogP6.71
Rot. Bonds6

About 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide

3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide (PubChem CID 142774735) has the molecular formula C25H32Cl2N2O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
PubChem CID142774735
Molecular FormulaC25H32Cl2N2O2
Molecular Weight463.45 g/mol
Exact Mass462.18
IUPAC Name3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)N1CC(OC(c2ccccc2)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C25H32Cl2N2O2/c1-24(2,3)16-25(4,5)28-23(30)29-14-19(15-29)31-22(17-9-7-6-8-10-17)20-12-11-18(26)13-21(20)27/h6-13,19,22H,14-16H2,1-5H3,(H,28,30)
InChIKeyNKAHJICGWZLEKY-UHFFFAOYSA-N
XLogP6.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide (CID 142774735) is 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide is CC(C)(C)CC(C)(C)NC(=O)N1CC(OC(c2ccccc2)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide?
The InChIKey is NKAHJICGWZLEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O2/c1-24(2,3)16-25(4,5)28-23(30)29-14-19(15-29)31-22(17-9-7-6-8-10-17)20-12-11-18(26)13-21(20)27/h6-13,19,22H,14-16H2,1-5H3,(H,28,30).
What are the key properties of 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide?
3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide has a molecular weight of 463.45 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 142774735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).