3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide

C20H22ClN3O3 — CID 60536487

IUPAC3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C20H22ClN3O3/c1-12-3-4-13(20(26)23-15-6-7-15)9-16(12)22-11-19(25)24-17-10-14(21)5-8-18(17)27-2/h3-5,8-10,15,22H,6-7,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZLEALJPUKLHZAC-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.60
Rot. Bonds7

About 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide

3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide (PubChem CID 60536487) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
PubChem CID60536487
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C20H22ClN3O3/c1-12-3-4-13(20(26)23-15-6-7-15)9-16(12)22-11-19(25)24-17-10-14(21)5-8-18(17)27-2/h3-5,8-10,15,22H,6-7,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZLEALJPUKLHZAC-UHFFFAOYSA-N
XLogP3.60
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
CID 55898772
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
methyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104322
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide (CID 60536487) is 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide is COc1ccc(Cl)cc1NC(=O)CNc1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is ZLEALJPUKLHZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-12-3-4-13(20(26)23-15-6-7-15)9-16(12)22-11-19(25)24-17-10-14(21)5-8-18(17)27-2/h3-5,8-10,15,22H,6-7,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide?
3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 387.87 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 60536487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).