N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide

C22H27ClN2O3 — CID 35041682

IUPACN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-16(2)28-18-9-7-17(8-10-18)22(26)24-15-21(25-11-13-27-14-12-25)19-5-3-4-6-20(19)23/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyJSNXETOOMSESHM-NRFANRHFSA-N
MW402.92 g/mol
LogP3.93
Rot. Bonds7

About N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide

N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide (PubChem CID 35041682) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
PubChem CID35041682
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-16(2)28-18-9-7-17(8-10-18)22(26)24-15-21(25-11-13-27-14-12-25)19-5-3-4-6-20(19)23/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyJSNXETOOMSESHM-NRFANRHFSA-N
XLogP3.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 35041734
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
CID 35041715
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide (CID 35041682) is N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide?
The InChIKey is JSNXETOOMSESHM-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-16(2)28-18-9-7-17(8-10-18)22(26)24-15-21(25-11-13-27-14-12-25)19-5-3-4-6-20(19)23/h3-10,16,21H,11-15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide?
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide has a molecular weight of 402.92 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 35041682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).