N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide

C10H10BrClN2O2 — CID 61414332

IUPACN-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide
SMILESO=C(CCl)NC(=O)NCc1ccccc1Br
InChIInChI=1S/C10H10BrClN2O2/c11-8-4-2-1-3-7(8)6-13-10(16)14-9(15)5-12/h1-4H,5-6H2,(H2,13,14,15,16)
InChIKeyTXKIOSUHHJXFDC-UHFFFAOYSA-N
MW305.56 g/mol
LogP2.01
Rot. Bonds3

About N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide

N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide (PubChem CID 61414332) has the molecular formula C10H10BrClN2O2 and a molecular weight of 305.56 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide
PubChem CID61414332
Molecular FormulaC10H10BrClN2O2
Molecular Weight305.56 g/mol
Exact Mass303.96
IUPAC NameN-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide
SMILESO=C(CCl)NC(=O)NCc1ccccc1Br
InChIInChI=1S/C10H10BrClN2O2/c11-8-4-2-1-3-7(8)6-13-10(16)14-9(15)5-12/h1-4H,5-6H2,(H2,13,14,15,16)
InChIKeyTXKIOSUHHJXFDC-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
CID 62880642
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
1-[(2-bromophenyl)methyl]-3-prop-2-enylurea
CID 108897925
3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide
CID 43146071
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
1-[(2-bromophenyl)methyl]-3-cyclobutylurea
CID 115618018
1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
CID 108898055
1-[(2-bromophenyl)methyl]-3-(3-chloro-2-methylphenyl)urea
CID 17379764
ethyl 3-[(2-bromophenyl)methylcarbamoylamino]propanoate
CID 108898028

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide?
The IUPAC name of N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide (CID 61414332) is N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide?
The canonical SMILES for N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide is O=C(CCl)NC(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide?
The InChIKey is TXKIOSUHHJXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2/c11-8-4-2-1-3-7(8)6-13-10(16)14-9(15)5-12/h1-4H,5-6H2,(H2,13,14,15,16).
What are the key properties of N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide?
N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide has a molecular weight of 305.56 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide is sourced from PubChem (CID 61414332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).