3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide

C18H20ClNO2 — CID 13176390

IUPAC3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO2/c1-13(2)11-20-18(21)15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyZCDDJPYPALWEHM-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.30
Rot. Bonds6

About 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide

3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide (PubChem CID 13176390) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
PubChem CID13176390
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO2/c1-13(2)11-20-18(21)15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyZCDDJPYPALWEHM-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176414
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288
N-(2-methylpropyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 903861
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
3-[(4-fluorophenyl)methoxy]-N-(2-morpholin-4-ylpropyl)benzamide
CID 55612328
4-[3-[(4-chlorophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid
CID 91935361
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide (CID 13176390) is 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide?
The InChIKey is ZCDDJPYPALWEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13(2)11-20-18(21)15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide?
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 13176390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).