4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide

C18H20ClNO2 — CID 71822149

IUPAC4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H20ClNO2/c1-12(2)14-6-4-13(5-7-14)11-20-18(21)16-9-8-15(19)10-17(16)22-3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyAWDCRDLXFMDRPP-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.40
Rot. Bonds5

About 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide

4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 71822149) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID71822149
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H20ClNO2/c1-12(2)14-6-4-13(5-7-14)11-20-18(21)16-9-8-15(19)10-17(16)22-3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyAWDCRDLXFMDRPP-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
CID 113492957
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
CID 9404018
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 71822149) is 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide is COc1cc(Cl)ccc1C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is AWDCRDLXFMDRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(2)14-6-4-13(5-7-14)11-20-18(21)16-9-8-15(19)10-17(16)22-3/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 71822149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).