N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide

C21H26ClNO4 — CID 7944603

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc(OCC)c1OCC
InChIInChI=1S/C21H26ClNO4/c1-5-25-18-12-16(13-19(26-6-2)20(18)27-7-3)21(24)23-14(4)15-9-8-10-17(22)11-15/h8-14H,5-7H2,1-4H3,(H,23,24)/t14-/m1/s1
InChIKeyJUAAXRCKTHLTGA-CQSZACIVSA-N
MW391.90 g/mol
LogP5.03
Rot. Bonds9

About N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide (PubChem CID 7944603) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
PubChem CID7944603
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc(OCC)c1OCC
InChIInChI=1S/C21H26ClNO4/c1-5-25-18-12-16(13-19(26-6-2)20(18)27-7-3)21(24)23-14(4)15-9-8-10-17(22)11-15/h8-14H,5-7H2,1-4H3,(H,23,24)/t14-/m1/s1
InChIKeyJUAAXRCKTHLTGA-CQSZACIVSA-N
XLogP5.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 43010464
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide (CID 7944603) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc(OCC)c1OCC.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide?
The InChIKey is JUAAXRCKTHLTGA-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-5-25-18-12-16(13-19(26-6-2)20(18)27-7-3)21(24)23-14(4)15-9-8-10-17(22)11-15/h8-14H,5-7H2,1-4H3,(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide has a molecular weight of 391.90 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 7944603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).