N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

C21H23ClN2O3 — CID 108502169

IUPACN-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23ClN2O3/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)23-20(25)21(26)24-18-12-17(22)9-10-19(18)27-2/h7-13H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFECLXHDYAKISHT-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.04
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (PubChem CID 108502169) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
PubChem CID108502169
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23ClN2O3/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)23-20(25)21(26)24-18-12-17(22)9-10-19(18)27-2/h7-13H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFECLXHDYAKISHT-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108875482
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511331
N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511218
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
1-(2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866531
N-(2-bromophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511313
N-(2,3-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511155
N-(4-hydroxy-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108509455
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535807
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848795

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (CID 108502169) is N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The InChIKey is FECLXHDYAKISHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)23-20(25)21(26)24-18-12-17(22)9-10-19(18)27-2/h7-13H,3-6H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide has a molecular weight of 386.88 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is sourced from PubChem (CID 108502169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).