N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide

C10H11Br2N3O3 — CID 103412671

IUPACN-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC(N)=O)c(Br)cc1Br
InChIInChI=1S/C10H11Br2N3O3/c1-18-8-3-7(5(11)2-6(8)12)14-4-9(16)15-10(13)17/h2-3,14H,4H2,1H3,(H3,13,15,16,17)
InChIKeyPMNNKUJIUZDJOM-UHFFFAOYSA-N
MW381.02 g/mol
LogP1.83
Rot. Bonds4

About N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide

N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide (PubChem CID 103412671) has the molecular formula C10H11Br2N3O3 and a molecular weight of 381.02 g/mol. Its IUPAC name is N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
PubChem CID103412671
Molecular FormulaC10H11Br2N3O3
Molecular Weight381.02 g/mol
Exact Mass378.92
IUPAC NameN-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC(N)=O)c(Br)cc1Br
InChIInChI=1S/C10H11Br2N3O3/c1-18-8-3-7(5(11)2-6(8)12)14-4-9(16)15-10(13)17/h2-3,14H,4H2,1H3,(H3,13,15,16,17)
InChIKeyPMNNKUJIUZDJOM-UHFFFAOYSA-N
XLogP1.83
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.02
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
CID 79493197
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 103412672
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
CID 103413053
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
3-(2,4-dibromo-5-methoxyanilino)-2-methylpropanoic acid
CID 103412855
3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
CID 103412756
2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
CID 103413096
N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
2-(2,4-dibromo-5-methoxyanilino)butanamide
CID 103413422
N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
CID 103411364

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide?
The IUPAC name of N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide (CID 103412671) is N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide?
The canonical SMILES for N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide is COc1cc(NCC(=O)NC(N)=O)c(Br)cc1Br.
What is the InChIKey of N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide?
The InChIKey is PMNNKUJIUZDJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O3/c1-18-8-3-7(5(11)2-6(8)12)14-4-9(16)15-10(13)17/h2-3,14H,4H2,1H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide?
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide has a molecular weight of 381.02 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide is sourced from PubChem (CID 103412671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).