N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide

C10H10BrClN2O3 — CID 82860744

IUPACN-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide
SMILESCOc1cc(Br)cc(NC(=O)NC(=O)CCl)c1
InChIInChI=1S/C10H10BrClN2O3/c1-17-8-3-6(11)2-7(4-8)13-10(16)14-9(15)5-12/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyRXGUMTUEKMGGGX-UHFFFAOYSA-N
MW321.56 g/mol
LogP2.34
Rot. Bonds3

About N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide

N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide (PubChem CID 82860744) has the molecular formula C10H10BrClN2O3 and a molecular weight of 321.56 g/mol. Its IUPAC name is N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide
PubChem CID82860744
Molecular FormulaC10H10BrClN2O3
Molecular Weight321.56 g/mol
Exact Mass319.96
IUPAC NameN-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide
SMILESCOc1cc(Br)cc(NC(=O)NC(=O)CCl)c1
InChIInChI=1S/C10H10BrClN2O3/c1-17-8-3-6(11)2-7(4-8)13-10(16)14-9(15)5-12/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyRXGUMTUEKMGGGX-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
CID 4962265
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 82858703
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 82860111
4-[(3-bromo-5-methoxyphenyl)carbamoylamino]pentanoic acid
CID 82860595
2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide
CID 79049833
N-(3-bromo-5-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82868476
(2R)-2-[(3-bromo-5-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82860457
3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide?
The IUPAC name of N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide (CID 82860744) is N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide.
What is the SMILES notation for N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide?
The canonical SMILES for N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide is COc1cc(Br)cc(NC(=O)NC(=O)CCl)c1.
What is the InChIKey of N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide?
The InChIKey is RXGUMTUEKMGGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O3/c1-17-8-3-6(11)2-7(4-8)13-10(16)14-9(15)5-12/h2-4H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide?
N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide has a molecular weight of 321.56 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide is sourced from PubChem (CID 82860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).