N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide

C22H27ClN2O3 — CID 35041715

IUPACN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C22H27ClN2O3/c1-2-12-28-18-7-5-6-17(15-18)22(26)24-16-21(25-10-13-27-14-11-25)19-8-3-4-9-20(19)23/h3-9,15,21H,2,10-14,16H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyYSBVHULNTXTWMC-OAQYLSRUSA-N
MW402.92 g/mol
LogP3.93
Rot. Bonds8

About N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide (PubChem CID 35041715) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
PubChem CID35041715
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C22H27ClN2O3/c1-2-12-28-18-7-5-6-17(15-18)22(26)24-16-21(25-10-13-27-14-11-25)19-8-3-4-9-20(19)23/h3-9,15,21H,2,10-14,16H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyYSBVHULNTXTWMC-OAQYLSRUSA-N
XLogP3.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 35041734
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044692
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
CID 35041682
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
CID 35573533

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide (CID 35041715) is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide?
The InChIKey is YSBVHULNTXTWMC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-2-12-28-18-7-5-6-17(15-18)22(26)24-16-21(25-10-13-27-14-11-25)19-8-3-4-9-20(19)23/h3-9,15,21H,2,10-14,16H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide?
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide has a molecular weight of 402.92 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide is sourced from PubChem (CID 35041715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).