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

C18H20ClNO2 — CID 71822169

IUPAC5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H20ClNO2/c1-12(2)14-6-4-13(5-7-14)11-20-18(21)16-10-15(19)8-9-17(16)22-3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyNFTHAULKRVVCFF-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.40
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide

5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 71822169) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID71822169
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H20ClNO2/c1-12(2)14-6-4-13(5-7-14)11-20-18(21)16-10-15(19)8-9-17(16)22-3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyNFTHAULKRVVCFF-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

4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate
CID 23716993
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate
CID 154145410

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 71822169) is 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is NFTHAULKRVVCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(2)14-6-4-13(5-7-14)11-20-18(21)16-10-15(19)8-9-17(16)22-3/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
5-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 5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 71822169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).