4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide

C21H25ClN2O2 — CID 7926606

IUPAC4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-14-5-10-18(17(22)13-14)24-19(25)11-12-23-20(26)15-6-8-16(9-7-15)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyOMCCLHANHDUFNB-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.70
Rot. Bonds5

About 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide

4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide (PubChem CID 7926606) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide
PubChem CID7926606
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-14-5-10-18(17(22)13-14)24-19(25)11-12-23-20(26)15-6-8-16(9-7-15)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyOMCCLHANHDUFNB-UHFFFAOYSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
CID 26239604
methyl 3-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-chlorobenzoate
CID 18281701
N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191558
3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide
CID 55898253
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
4-tert-butyl-N-[3-(2,3-dimethylanilino)-3-oxopropyl]benzamide
CID 7946952
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86883923
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
N-(2-chloro-4-methylphenyl)-3-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111869186
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
3-[(N-butyl-N'-methylcarbamimidoyl)amino]-N-(2-chloro-4-methylphenyl)propanamide;hydroiodide
CID 111151317

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide (CID 7926606) is 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide is Cc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1.
What is the InChIKey of 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide?
The InChIKey is OMCCLHANHDUFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-14-5-10-18(17(22)13-14)24-19(25)11-12-23-20(26)15-6-8-16(9-7-15)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 7926606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).