2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide

C12H14BrN3O2 — CID 42069187

IUPAC2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CNc1ccccc1Br)NC(=O)NC1CC1
InChIInChI=1S/C12H14BrN3O2/c13-9-3-1-2-4-10(9)14-7-11(17)16-12(18)15-8-5-6-8/h1-4,8,14H,5-7H2,(H2,15,16,17,18)
InChIKeyWVHJVLMGBXXTRX-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide

2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 42069187) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide
PubChem CID42069187
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CNc1ccccc1Br)NC(=O)NC1CC1
InChIInChI=1S/C12H14BrN3O2/c13-9-3-1-2-4-10(9)14-7-11(17)16-12(18)15-8-5-6-8/h1-4,8,14H,5-7H2,(H2,15,16,17,18)
InChIKeyWVHJVLMGBXXTRX-UHFFFAOYSA-N
XLogP1.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173
2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
CID 47077671
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 16606580
N-(cyclopentylcarbamoyl)-2-(2-phenoxyanilino)acetamide
CID 17404437
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
N-(2-bromophenyl)-2-(cyclopropylcarbamothioylamino)acetamide
CID 8788464
N-cyclopropyl-2-(naphthalen-1-ylamino)acetamide
CID 26506369

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide (CID 42069187) is 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide is O=C(CNc1ccccc1Br)NC(=O)NC1CC1.
What is the InChIKey of 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is WVHJVLMGBXXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c13-9-3-1-2-4-10(9)14-7-11(17)16-12(18)15-8-5-6-8/h1-4,8,14H,5-7H2,(H2,15,16,17,18).
What are the key properties of 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide?
2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 312.17 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 42069187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).