N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide

C15H21ClN2O3 — CID 17432866

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)N1CCOC(C)C1
InChIInChI=1S/C15H21ClN2O3/c1-10-9-18(6-7-21-10)11(2)15(19)17-13-8-12(16)4-5-14(13)20-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyYVLCMEDAHBMREU-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.40
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide (PubChem CID 17432866) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
PubChem CID17432866
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)N1CCOC(C)C1
InChIInChI=1S/C15H21ClN2O3/c1-10-9-18(6-7-21-10)11(2)15(19)17-13-8-12(16)4-5-14(13)20-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyYVLCMEDAHBMREU-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 31519985
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 51731055
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 100842886
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46687581
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46677597
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 16599145
N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4876524
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019505
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]propanamide
CID 32712835

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide (CID 17432866) is N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)N1CCOC(C)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide?
The InChIKey is YVLCMEDAHBMREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-10-9-18(6-7-21-10)11(2)15(19)17-13-8-12(16)4-5-14(13)20-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide has a molecular weight of 312.80 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 17432866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).