N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide

C20H22ClNO4 — CID 56581235

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c(O)c1
InChIInChI=1S/C20H22ClNO4/c1-25-16-5-6-17(18(23)12-16)19(24)22-13-20(7-9-26-10-8-20)14-3-2-4-15(21)11-14/h2-6,11-12,23H,7-10,13H2,1H3,(H,22,24)
InChIKeyIUNVEIPRMKCTLO-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.53
Rot. Bonds5

About N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 56581235) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide
PubChem CID56581235
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c(O)c1
InChIInChI=1S/C20H22ClNO4/c1-25-16-5-6-17(18(23)12-16)19(24)22-13-20(7-9-26-10-8-20)14-3-2-4-15(21)11-14/h2-6,11-12,23H,7-10,13H2,1H3,(H,22,24)
InChIKeyIUNVEIPRMKCTLO-UHFFFAOYSA-N
XLogP3.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
CID 55865048
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide (CID 56581235) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c(O)c1.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is IUNVEIPRMKCTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-25-16-5-6-17(18(23)12-16)19(24)22-13-20(7-9-26-10-8-20)14-3-2-4-15(21)11-14/h2-6,11-12,23H,7-10,13H2,1H3,(H,22,24).
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 375.85 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 56581235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).