N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide

C18H20ClNO4 — CID 26907645

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)N[C@H](C)c2ccccc2Cl)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-11(12-7-5-6-8-14(12)19)20-18(21)13-9-16(23-3)17(24-4)10-15(13)22-2/h5-11H,1-4H3,(H,20,21)/t11-/m1/s1
InChIKeyVHMBWOPGCCSQMJ-LLVKDONJSA-N
MW349.81 g/mol
LogP3.86
Rot. Bonds6

About N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide (PubChem CID 26907645) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
PubChem CID26907645
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)N[C@H](C)c2ccccc2Cl)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-11(12-7-5-6-8-14(12)19)20-18(21)13-9-16(23-3)17(24-4)10-15(13)22-2/h5-11H,1-4H3,(H,20,21)/t11-/m1/s1
InChIKeyVHMBWOPGCCSQMJ-LLVKDONJSA-N
XLogP3.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
CID 26907594
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 26907621
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 86906510
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390777
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 41176984
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide (CID 26907645) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)N[C@H](C)c2ccccc2Cl)cc1OC.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide?
The InChIKey is VHMBWOPGCCSQMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-11(12-7-5-6-8-14(12)19)20-18(21)13-9-16(23-3)17(24-4)10-15(13)22-2/h5-11H,1-4H3,(H,20,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide has a molecular weight of 349.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 26907645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).