2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide

C20H23ClN2O3 — CID 46688396

IUPAC2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)[C@H](C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-14-8-4-7-11-18(14)26-13-12-23(3)20(25)15(2)22-19(24)16-9-5-6-10-17(16)21/h4-11,15H,12-13H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyTZPIKQKRBZDZDG-HNNXBMFYSA-N
MW374.87 g/mol
LogP3.30
Rot. Bonds7

About 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 46688396) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID46688396
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)[C@H](C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-14-8-4-7-11-18(14)26-13-12-23(3)20(25)15(2)22-19(24)16-9-5-6-10-17(16)21/h4-11,15H,12-13H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyTZPIKQKRBZDZDG-HNNXBMFYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 86909740
2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 46435034
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55948305
2-bromo-N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 46637868
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2-[(2-fluorophenyl)sulfonylamino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 42892310
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide (CID 46688396) is 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide is Cc1ccccc1OCCN(C)C(=O)[C@H](C)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is TZPIKQKRBZDZDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-8-4-7-11-18(14)26-13-12-23(3)20(25)15(2)22-19(24)16-9-5-6-10-17(16)21/h4-11,15H,12-13H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46688396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).