N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide

C14H17ClN2O4 — CID 17257113

IUPACN-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCOCC1
InChIInChI=1S/C14H17ClN2O4/c1-9(18)16-12-8-13(20-2)10(7-11(12)15)14(19)17-3-5-21-6-4-17/h7-8H,3-6H2,1-2H3,(H,16,18)
InChIKeyGXRJNVITUQUHQL-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.78
Rot. Bonds3

About N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide

N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 17257113) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID17257113
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC NameN-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCOCC1
InChIInChI=1S/C14H17ClN2O4/c1-9(18)16-12-8-13(20-2)10(7-11(12)15)14(19)17-3-5-21-6-4-17/h7-8H,3-6H2,1-2H3,(H,16,18)
InChIKeyGXRJNVITUQUHQL-UHFFFAOYSA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 17312286
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide
CID 17257101
(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone
CID 169095615
(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
[5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-morpholin-4-ylmethanone
CID 20916299
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045550
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide (CID 17257113) is N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is GXRJNVITUQUHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-9(18)16-12-8-13(20-2)10(7-11(12)15)14(19)17-3-5-21-6-4-17/h7-8H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide?
N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 312.75 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17257113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).