3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C18H19Cl2NO3 — CID 55588763

IUPAC3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl
InChIInChI=1S/C18H19Cl2NO3/c1-11(2)24-14-6-4-12(5-7-14)10-21-18(22)13-8-15(19)17(23-3)16(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyZFOQFOAYIFWARR-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.72
Rot. Bonds6

About 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 55588763) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID55588763
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl
InChIInChI=1S/C18H19Cl2NO3/c1-11(2)24-14-6-4-12(5-7-14)10-21-18(22)13-8-15(19)17(23-3)16(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyZFOQFOAYIFWARR-UHFFFAOYSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55662530
3,4,5-trimethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911196
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848436
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
CID 1297066
N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
CID 46519975
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 55588763) is 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is COc1c(Cl)cc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is ZFOQFOAYIFWARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-11(2)24-14-6-4-12(5-7-14)10-21-18(22)13-8-15(19)17(23-3)16(20)9-13/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 368.26 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 55588763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).