N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

C20H23ClN2O5 — CID 9209715

IUPACN-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C20H23ClN2O5/c1-12(19(24)22-11-13-7-5-6-8-15(13)21)23-20(25)14-9-16(26-2)18(28-4)17(10-14)27-3/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeySGSBHIXCHSXZTM-LBPRGKRZSA-N
MW406.87 g/mol
LogP2.80
Rot. Bonds8

About N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 9209715) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID9209715
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC NameN-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C20H23ClN2O5/c1-12(19(24)22-11-13-7-5-6-8-15(13)21)23-20(25)14-9-16(26-2)18(28-4)17(10-14)27-3/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeySGSBHIXCHSXZTM-LBPRGKRZSA-N
XLogP2.80
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide
CID 43008482
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide
CID 24511825
3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60597223
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 9437289
N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide
CID 86928510
(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 2450720

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide (CID 9209715) is N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc(OC)c1OC.
What is the InChIKey of N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is SGSBHIXCHSXZTM-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-12(19(24)22-11-13-7-5-6-8-15(13)21)23-20(25)14-9-16(26-2)18(28-4)17(10-14)27-3/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 406.87 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 9209715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).