4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide

C20H23ClN2O3 — CID 55886913

IUPAC4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)26-17-8-9-18(14(3)12-17)23-19(24)10-11-22-20(25)15-4-6-16(21)7-5-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDWKPLFQUPUXPHC-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.19
Rot. Bonds7

About 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide

4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide (PubChem CID 55886913) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide
PubChem CID55886913
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)26-17-8-9-18(14(3)12-17)23-19(24)10-11-22-20(25)15-4-6-16(21)7-5-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDWKPLFQUPUXPHC-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193277
6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 60926923
6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
CID 60933731
5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide (CID 55886913) is 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide is Cc1cc(OC(C)C)ccc1NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide?
The InChIKey is DWKPLFQUPUXPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13(2)26-17-8-9-18(14(3)12-17)23-19(24)10-11-22-20(25)15-4-6-16(21)7-5-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 55886913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).