4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide

C21H25ClN2O2 — CID 60621325

IUPAC4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
SMILESCCC(CC)(CNC(=O)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-4-21(5-2,17-8-10-18(22)11-9-17)14-23-20(26)16-6-12-19(13-7-16)24-15(3)25/h6-13H,4-5,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBZJCSGPXJGOZCN-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.79
Rot. Bonds7

About 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide

4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide (PubChem CID 60621325) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
PubChem CID60621325
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
SMILESCCC(CC)(CNC(=O)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-4-21(5-2,17-8-10-18(22)11-9-17)14-23-20(26)16-6-12-19(13-7-16)24-15(3)25/h6-13H,4-5,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBZJCSGPXJGOZCN-UHFFFAOYSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-methylsulfonylbenzamide
CID 60621661
N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
CID 60621598
4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide
CID 123692318
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
CID 119768490
N-[2-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]ethyl]-4-chlorobenzamide
CID 35004982
3-[(4-acetamidobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174171
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide
CID 60621749
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide (CID 60621325) is 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide is CCC(CC)(CNC(=O)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide?
The InChIKey is BZJCSGPXJGOZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-21(5-2,17-8-10-18(22)11-9-17)14-23-20(26)16-6-12-19(13-7-16)24-15(3)25/h6-13H,4-5,14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide?
4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide is sourced from PubChem (CID 60621325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).