2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide

C16H17ClN4O3 — CID 154738776

IUPAC2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide
SMILESCOc1cncnc1NC(=O)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H17ClN4O3/c1-23-13-8-18-10-19-15(13)20-16(22)21-5-6-24-14(9-21)11-3-2-4-12(17)7-11/h2-4,7-8,10,14H,5-6,9H2,1H3,(H,18,19,20,22)
InChIKeyFYSJXYNSMURPGM-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.74
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide

2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide (PubChem CID 154738776) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide
PubChem CID154738776
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide
SMILESCOc1cncnc1NC(=O)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H17ClN4O3/c1-23-13-8-18-10-19-15(13)20-16(22)21-5-6-24-14(9-21)11-3-2-4-12(17)7-11/h2-4,7-8,10,14H,5-6,9H2,1H3,(H,18,19,20,22)
InChIKeyFYSJXYNSMURPGM-UHFFFAOYSA-N
XLogP2.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
CID 110327203
2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide
CID 138032990
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)morpholine-4-carboxamide
CID 87034963
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 146131766
N-[3-[2-(3-chlorophenyl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 110355151
N-(2-methoxy-5-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526391
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 146143233
1-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124618430
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
2-(3,5-dichlorophenyl)-N-(2-methylphenyl)morpholine-4-carboxamide
CID 71804721
1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
CID 124618590

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide (CID 154738776) is 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide is COc1cncnc1NC(=O)N1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide?
The InChIKey is FYSJXYNSMURPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-23-13-8-18-10-19-15(13)20-16(22)21-5-6-24-14(9-21)11-3-2-4-12(17)7-11/h2-4,7-8,10,14H,5-6,9H2,1H3,(H,18,19,20,22).
What are the key properties of 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide?
2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 154738776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).