2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone

C15H21ClN2O3 — CID 51111589

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)N1CCOC(C)C1
InChIInChI=1S/C15H21ClN2O3/c1-10-6-13(14(20-3)7-12(10)16)17-8-15(19)18-4-5-21-11(2)9-18/h6-7,11,17H,4-5,8-9H2,1-3H3
InChIKeyUXBDQOVRCDIHRF-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.32
Rot. Bonds4

About 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone

2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 51111589) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID51111589
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)N1CCOC(C)C1
InChIInChI=1S/C15H21ClN2O3/c1-10-6-13(14(20-3)7-12(10)16)17-8-15(19)18-4-5-21-11(2)9-18/h6-7,11,17H,4-5,8-9H2,1-3H3
InChIKeyUXBDQOVRCDIHRF-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-1-(2-methylmorpholin-4-yl)ethanone
CID 55478397
2-[2-(2-chlorophenoxy)anilino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 32904994
2-(4-chloro-2-methoxy-5-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 39964978
2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006497
1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone
CID 94532818
1-(4-acetylpiperazin-1-yl)-3-(4-chloro-2-methoxy-5-methylanilino)propan-1-one
CID 109018258
3-(4-chloro-2-methoxy-5-methylanilino)-2,2-dimethylpropanoic acid
CID 79628845
3,5-dimethoxy-N-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 41247421
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138
1-[4-[2-(4,5-dichloro-2-methoxyanilino)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819730
4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one
CID 94759004

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone (CID 51111589) is 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone is COc1cc(Cl)c(C)cc1NCC(=O)N1CCOC(C)C1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is UXBDQOVRCDIHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-10-6-13(14(20-3)7-12(10)16)17-8-15(19)18-4-5-21-11(2)9-18/h6-7,11,17H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone?
2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 312.80 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 51111589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).