4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide

C21H25ClN4O3 — CID 36638338

IUPAC4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H25ClN4O3/c1-2-26(14-20(28)24-13-16-5-3-4-6-18(16)22)12-11-19(27)25-17-9-7-15(8-10-17)21(23)29/h3-10H,2,11-14H2,1H3,(H2,23,29)(H,24,28)(H,25,27)
InChIKeyZTWFPYBCVHFQNF-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.41
Rot. Bonds10

About 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide

4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide (PubChem CID 36638338) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide
PubChem CID36638338
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H25ClN4O3/c1-2-26(14-20(28)24-13-16-5-3-4-6-18(16)22)12-11-19(27)25-17-9-7-15(8-10-17)21(23)29/h3-10H,2,11-14H2,1H3,(H2,23,29)(H,24,28)(H,25,27)
InChIKeyZTWFPYBCVHFQNF-UHFFFAOYSA-N
XLogP2.41
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36638223
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
CID 109021380
4-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36639429
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012683
N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 24670493
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 54832867
N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
CID 31412018
N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 55482287
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide (CID 36638338) is 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NCc1ccccc1Cl.
What is the InChIKey of 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The InChIKey is ZTWFPYBCVHFQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-2-26(14-20(28)24-13-16-5-3-4-6-18(16)22)12-11-19(27)25-17-9-7-15(8-10-17)21(23)29/h3-10H,2,11-14H2,1H3,(H2,23,29)(H,24,28)(H,25,27).
What are the key properties of 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide has a molecular weight of 416.91 g/mol, XLogP of 2.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]propanoylamino]benzamide is sourced from PubChem (CID 36638338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).