2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C23H28ClNO3 — CID 19118857

IUPAC2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCCCOc1ccccc1C(=O)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C23H28ClNO3/c1-2-3-14-28-22-9-5-4-8-21(22)23(26)25(17-20-7-6-15-27-20)16-18-10-12-19(24)13-11-18/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3
InChIKeyCHZRYRASTSIRJI-UHFFFAOYSA-N
MW401.93 g/mol
LogP5.34
Rot. Bonds9

About 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 19118857) has the molecular formula C23H28ClNO3 and a molecular weight of 401.93 g/mol. Its IUPAC name is 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID19118857
Molecular FormulaC23H28ClNO3
Molecular Weight401.93 g/mol
Exact Mass401.18
IUPAC Name2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCCCOc1ccccc1C(=O)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C23H28ClNO3/c1-2-3-14-28-22-9-5-4-8-21(22)23(26)25(17-20-7-6-15-27-20)16-18-10-12-19(24)13-11-18/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3
InChIKeyCHZRYRASTSIRJI-UHFFFAOYSA-N
XLogP5.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.93
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
butyl 2-[4-[[(2-chlorobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenoxy]sulfonylbenzoate
CID 71955232
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 19118894
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
CID 19118860
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide
CID 40639547
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
(E)-N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 40850268

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 19118857) is 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is CCCCOc1ccccc1C(=O)N(Cc1ccc(Cl)cc1)CC1CCCO1.
What is the InChIKey of 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CHZRYRASTSIRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO3/c1-2-3-14-28-22-9-5-4-8-21(22)23(26)25(17-20-7-6-15-27-20)16-18-10-12-19(24)13-11-18/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3.
What are the key properties of 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 401.93 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 19118857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).