4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide

C22H28ClN3O3 — CID 8000257

IUPAC4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C22H28ClN3O3/c1-4-26(5-2)13-12-24-22(28)17-6-8-18(9-7-17)25-21(27)15-29-19-10-11-20(23)16(3)14-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyBSXWOPFXLPCUOB-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.74
Rot. Bonds10

About 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide

4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 8000257) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID8000257
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C22H28ClN3O3/c1-4-26(5-2)13-12-24-22(28)17-6-8-18(9-7-17)25-21(27)15-29-19-10-11-20(23)16(3)14-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyBSXWOPFXLPCUOB-UHFFFAOYSA-N
XLogP3.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 7940143
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
CID 108789964
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940764
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
CID 4793474
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide (CID 8000257) is 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is BSXWOPFXLPCUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c1-4-26(5-2)13-12-24-22(28)17-6-8-18(9-7-17)25-21(27)15-29-19-10-11-20(23)16(3)14-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide?
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 417.94 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 8000257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).