N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C20H21ClN2O4 — CID 2995913

IUPACN-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN2O4/c1-14-6-7-15(21)12-17(14)22-20(25)16-4-2-3-5-18(16)27-13-19(24)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyUKKODMMUXGCMQD-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.14
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide

N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 2995913) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID2995913
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN2O4/c1-14-6-7-15(21)12-17(14)22-20(25)16-4-2-3-5-18(16)27-13-19(24)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyUKKODMMUXGCMQD-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-(phenylcarbonyl)phenoxy)-N-phenylacetamide
CID 465669
Ncgc607
CID 46943210
Salverine
CID 65585
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[2-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257265
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
1-(5-Chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine
CID 1010103
4-(3-Morpholinopropoxy)-N-(3-chlorophenyl)-2-hydroxybenzamide (9a)
CID 91937889
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-2-methoxy-benzamide
CID 11774865
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 44275384
N-(3-chloro-4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxamide
CID 887096
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
CID 4857924

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 2995913) is N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is UKKODMMUXGCMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-14-6-7-15(21)12-17(14)22-20(25)16-4-2-3-5-18(16)27-13-19(24)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 388.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 2995913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).