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

C19H18Cl3NO2 — CID 19118825

IUPAC2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C19H18Cl3NO2/c20-14-5-3-13(4-6-14)11-23(12-16-2-1-9-25-16)19(24)17-8-7-15(21)10-18(17)22/h3-8,10,16H,1-2,9,11-12H2
InChIKeyQHOGKXUMEDIXEC-UHFFFAOYSA-N
MW398.72 g/mol
LogP5.47
Rot. Bonds5

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

2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 19118825) has the molecular formula C19H18Cl3NO2 and a molecular weight of 398.72 g/mol. Its IUPAC name is 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID19118825
Molecular FormulaC19H18Cl3NO2
Molecular Weight398.72 g/mol
Exact Mass397.04
IUPAC Name2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)CC1CCCO1
InChIInChI=1S/C19H18Cl3NO2/c20-14-5-3-13(4-6-14)11-23(12-16-2-1-9-25-16)19(24)17-8-7-15(21)10-18(17)22/h3-8,10,16H,1-2,9,11-12H2
InChIKeyQHOGKXUMEDIXEC-UHFFFAOYSA-N
XLogP5.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118857
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
2-(4-chloro-3-methylphenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40871161
N-[(4-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 40871229
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
CID 19118860
[4-[[(2,4-dichlorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3340950
2-chloro-4,5-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55521414
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40784128

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 19118825) is 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)CC1CCCO1.
What is the InChIKey of 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QHOGKXUMEDIXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3NO2/c20-14-5-3-13(4-6-14)11-23(12-16-2-1-9-25-16)19(24)17-8-7-15(21)10-18(17)22/h3-8,10,16H,1-2,9,11-12H2.
What are the key properties of 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 398.72 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 19118825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).