2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide

C18H19BrClN3O3 — CID 70561655

IUPAC2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide
SMILESBr.CN(CC(=O)NC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H18ClN3O3.BrH/c1-22(11-17(24)21-16(23)10-20)15-8-7-13(19)9-14(15)18(25)12-5-3-2-4-6-12;/h2-9H,10-11,20H2,1H3,(H,21,23,24);1H
InChIKeyIXZCYLQDMPQVDZ-UHFFFAOYSA-N
MW440.73 g/mol
LogP2.19
Rot. Bonds6

About 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide

2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide (PubChem CID 70561655) has the molecular formula C18H19BrClN3O3 and a molecular weight of 440.73 g/mol. Its IUPAC name is 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide.

Molecular Properties

Compound Name2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide
PubChem CID70561655
Molecular FormulaC18H19BrClN3O3
Molecular Weight440.73 g/mol
Exact Mass439.03
IUPAC Name2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide
SMILESBr.CN(CC(=O)NC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H18ClN3O3.BrH/c1-22(11-17(24)21-16(23)10-20)15-8-7-13(19)9-14(15)18(25)12-5-3-2-4-6-12;/h2-9H,10-11,20H2,1H3,(H,21,23,24);1H
InChIKeyIXZCYLQDMPQVDZ-UHFFFAOYSA-N
XLogP2.19
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide
CID 3057617
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-3-phenylpropanamide
CID 3042184
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-4-methylpentanamide
CID 54068731
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]-3-methylbutanamide;oxalic acid
CID 90475753
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-5-(diaminomethylideneamino)pentanamide
CID 70559434
N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
CID 154157817
N-(2-benzoyl-4-chlorophenyl)-N-chloroacetamide
CID 139392236
N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
CID 88844912
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide?
The IUPAC name of 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide (CID 70561655) is 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide.
What is the SMILES notation for 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide?
The canonical SMILES for 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide is Br.CN(CC(=O)NC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide?
The InChIKey is IXZCYLQDMPQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3.BrH/c1-22(11-17(24)21-16(23)10-20)15-8-7-13(19)9-14(15)18(25)12-5-3-2-4-6-12;/h2-9H,10-11,20H2,1H3,(H,21,23,24);1H.
What are the key properties of 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide?
2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide has a molecular weight of 440.73 g/mol, XLogP of 2.19, 6 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-methylanilino)acetyl]acetamide;hydrobromide is sourced from PubChem (CID 70561655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).