2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide

C20H22ClN3O3 — CID 3057617

IUPAC2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide
SMILESCC(C)N(CC(=O)NC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H22ClN3O3/c1-13(2)24(12-19(26)23-18(25)11-22)17-9-8-15(21)10-16(17)20(27)14-6-4-3-5-7-14/h3-10,13H,11-12,22H2,1-2H3,(H,23,25,26)
InChIKeyMNUSENGNKDCAMP-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.39
Rot. Bonds7

About 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide

2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide (PubChem CID 3057617) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide
PubChem CID3057617
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide
SMILESCC(C)N(CC(=O)NC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H22ClN3O3/c1-13(2)24(12-19(26)23-18(25)11-22)17-9-8-15(21)10-16(17)20(27)14-6-4-3-5-7-14/h3-10,13H,11-12,22H2,1-2H3,(H,23,25,26)
InChIKeyMNUSENGNKDCAMP-UHFFFAOYSA-N
XLogP2.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide
CID 70561655
2-amino-N-[2-[2-benzoyl-4-chloro-N-[2-(diethylamino)ethyl]anilino]acetyl]acetamide;dihydrochloride
CID 3057618
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-4-methylpentanamide
CID 54068731
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-3-methylbutanamide;oxalic acid
CID 90475753
N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
CID 154157817
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-3-phenylpropanamide
CID 3042184
N-(2-benzoyl-4-chlorophenyl)-N-chloroacetamide
CID 139392236
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-5-(diaminomethylideneamino)pentanamide
CID 70559434
N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride
CID 3053911
(2S)-2-amino-N-[(2S)-1-(2-benzoyl-4-chloro-N-methylanilino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
CID 70563004
2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
CID 21152776
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide (CID 3057617) is 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide is CC(C)N(CC(=O)NC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide?
The InChIKey is MNUSENGNKDCAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13(2)24(12-19(26)23-18(25)11-22)17-9-8-15(21)10-16(17)20(27)14-6-4-3-5-7-14/h3-10,13H,11-12,22H2,1-2H3,(H,23,25,26).
What are the key properties of 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide?
2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide has a molecular weight of 387.87 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide is sourced from PubChem (CID 3057617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).