2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide

C10H12BrN3O3 — CID 79493197

IUPAC2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
SMILESCOc1cc(NCC(=O)NC(N)=O)ccc1Br
InChIInChI=1S/C10H12BrN3O3/c1-17-8-4-6(2-3-7(8)11)13-5-9(15)14-10(12)16/h2-4,13H,5H2,1H3,(H3,12,14,15,16)
InChIKeyYJAFGGAVFVVSCR-UHFFFAOYSA-N
MW302.13 g/mol
LogP1.06
Rot. Bonds4

About 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide

2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide (PubChem CID 79493197) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
PubChem CID79493197
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
SMILESCOc1cc(NCC(=O)NC(N)=O)ccc1Br
InChIInChI=1S/C10H12BrN3O3/c1-17-8-4-6(2-3-7(8)11)13-5-9(15)14-10(12)16/h2-4,13H,5H2,1H3,(H3,12,14,15,16)
InChIKeyYJAFGGAVFVVSCR-UHFFFAOYSA-N
XLogP1.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide
CID 114839602
2-(4-bromo-3-methoxyanilino)acetic acid
CID 82868181
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
2-(4-bromo-3-methoxyanilino)-N-butylacetamide
CID 79493403
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361
3-(4-bromo-3-methoxyanilino)-2-methylpropanamide
CID 82867694
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
ethyl 4-(4-bromo-3-methoxyanilino)-3-hydroxybutanoate
CID 103261940
N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009601

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide?
The IUPAC name of 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide (CID 79493197) is 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide.
What is the SMILES notation for 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide?
The canonical SMILES for 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide is COc1cc(NCC(=O)NC(N)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide?
The InChIKey is YJAFGGAVFVVSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c1-17-8-4-6(2-3-7(8)11)13-5-9(15)14-10(12)16/h2-4,13H,5H2,1H3,(H3,12,14,15,16).
What are the key properties of 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide?
2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide has a molecular weight of 302.13 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide is sourced from PubChem (CID 79493197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).