2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide

C20H22BrN3O2 — CID 32514051

IUPAC2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)C1CC1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C20H22BrN3O2/c21-17-8-4-5-9-18(17)23-19(25)12-22-20(26)14-24(16-10-11-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,26)(H,23,25)
InChIKeyJCSHIDQWYUNIBJ-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.17
Rot. Bonds8

About 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide

2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide (PubChem CID 32514051) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
PubChem CID32514051
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)C1CC1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C20H22BrN3O2/c21-17-8-4-5-9-18(17)23-19(25)12-22-20(26)14-24(16-10-11-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,26)(H,23,25)
InChIKeyJCSHIDQWYUNIBJ-UHFFFAOYSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]acetamide
CID 60510077
2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 46444247
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 32514074
2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
CID 109010688
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
N-(2-bromophenyl)-2-(cyclopropylcarbamothioylamino)acetamide
CID 8788464
2-[[2-(2-bromoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083127
N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide
CID 8620903
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17475044
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide (CID 32514051) is 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide is O=C(CN(Cc1ccccc1)C1CC1)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide?
The InChIKey is JCSHIDQWYUNIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c21-17-8-4-5-9-18(17)23-19(25)12-22-20(26)14-24(16-10-11-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide?
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide has a molecular weight of 416.32 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 32514051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).