N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

C21H23ClN2O2 — CID 108511218

IUPACN-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23ClN2O2/c1-13-11-18(22)9-10-19(13)24-21(26)20(25)23-14(2)16-8-7-15-5-3-4-6-17(15)12-16/h7-12,14H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAWPQASJTEYDMBX-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.34
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (PubChem CID 108511218) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
PubChem CID108511218
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23ClN2O2/c1-13-11-18(22)9-10-19(13)24-21(26)20(25)23-14(2)16-8-7-15-5-3-4-6-17(15)12-16/h7-12,14H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAWPQASJTEYDMBX-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108509455
N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108502169
N-(2,3-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511155
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511331
N-(2-bromophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511313
N-(2,4-dichlorophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108502741
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
N-(2,4-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510706
N-(4-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511276
1-(5-chloro-2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108875482
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848795
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (CID 108511218) is N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The InChIKey is AWPQASJTEYDMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-13-11-18(22)9-10-19(13)24-21(26)20(25)23-14(2)16-8-7-15-5-3-4-6-17(15)12-16/h7-12,14H,3-6H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide has a molecular weight of 370.88 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is sourced from PubChem (CID 108511218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).