N-(2,4,5-trimethoxyphenyl)carbamoyl bromide

C10H12BrNO4 — CID 115193326

IUPACN-(2,4,5-trimethoxyphenyl)carbamoyl bromide
SMILESCOc1cc(OC)c(OC)cc1NC(=O)Br
InChIInChI=1S/C10H12BrNO4/c1-14-7-5-9(16-3)8(15-2)4-6(7)12-10(11)13/h4-5H,1-3H3,(H,12,13)
InChIKeyRADRIBYGLLMWNZ-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.64
Rot. Bonds4

About N-(2,4,5-trimethoxyphenyl)carbamoyl bromide

N-(2,4,5-trimethoxyphenyl)carbamoyl bromide (PubChem CID 115193326) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is N-(2,4,5-trimethoxyphenyl)carbamoyl bromide.

Molecular Properties

Compound NameN-(2,4,5-trimethoxyphenyl)carbamoyl bromide
PubChem CID115193326
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC NameN-(2,4,5-trimethoxyphenyl)carbamoyl bromide
SMILESCOc1cc(OC)c(OC)cc1NC(=O)Br
InChIInChI=1S/C10H12BrNO4/c1-14-7-5-9(16-3)8(15-2)4-6(7)12-10(11)13/h4-5H,1-3H3,(H,12,13)
InChIKeyRADRIBYGLLMWNZ-UHFFFAOYSA-N
XLogP2.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
(2-acetamido-4,5-dimethoxyphenyl) acetate
CID 102408596
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
4-acetamido-2,5-dimethoxybenzenesulfinic acid
CID 102438502
N-(2,4,5-trimethoxyphenyl)benzenecarbothioamide
CID 86013134

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trimethoxyphenyl)carbamoyl bromide?
The IUPAC name of N-(2,4,5-trimethoxyphenyl)carbamoyl bromide (CID 115193326) is N-(2,4,5-trimethoxyphenyl)carbamoyl bromide.
What is the SMILES notation for N-(2,4,5-trimethoxyphenyl)carbamoyl bromide?
The canonical SMILES for N-(2,4,5-trimethoxyphenyl)carbamoyl bromide is COc1cc(OC)c(OC)cc1NC(=O)Br.
What is the InChIKey of N-(2,4,5-trimethoxyphenyl)carbamoyl bromide?
The InChIKey is RADRIBYGLLMWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-14-7-5-9(16-3)8(15-2)4-6(7)12-10(11)13/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(2,4,5-trimethoxyphenyl)carbamoyl bromide?
N-(2,4,5-trimethoxyphenyl)carbamoyl bromide has a molecular weight of 290.11 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trimethoxyphenyl)carbamoyl bromide is sourced from PubChem (CID 115193326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).