2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide

C10H10BrClFN3O2 — CID 167931660

IUPAC2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1cc(F)c(Br)cc1Cl
InChIInChI=1S/C10H10BrClFN3O2/c1-14-9(17)4-15-10(18)16-8-3-7(13)5(11)2-6(8)12/h2-3H,4H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyFLYJYFVOQBIRTL-UHFFFAOYSA-N
MW338.56 g/mol
LogP2.11
Rot. Bonds3

About 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide

2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide (PubChem CID 167931660) has the molecular formula C10H10BrClFN3O2 and a molecular weight of 338.56 g/mol. Its IUPAC name is 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide
PubChem CID167931660
Molecular FormulaC10H10BrClFN3O2
Molecular Weight338.56 g/mol
Exact Mass336.96
IUPAC Name2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1cc(F)c(Br)cc1Cl
InChIInChI=1S/C10H10BrClFN3O2/c1-14-9(17)4-15-10(18)16-8-3-7(13)5(11)2-6(8)12/h2-3H,4H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyFLYJYFVOQBIRTL-UHFFFAOYSA-N
XLogP2.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 63723631
N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide
CID 71975409
4-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092526
N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide
CID 8771652
N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
CID 107614820
2-[[2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 104724803
1-(4-bromo-5-fluoro-2-methylphenyl)-3-(2-methylpropyl)urea
CID 161143801
3-[(4-bromo-2,5-difluorophenyl)carbamoylamino]propanoic acid
CID 107614346
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 32559967
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide (CID 167931660) is 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide is CNC(=O)CNC(=O)Nc1cc(F)c(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide?
The InChIKey is FLYJYFVOQBIRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN3O2/c1-14-9(17)4-15-10(18)16-8-3-7(13)5(11)2-6(8)12/h2-3H,4H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide?
2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide has a molecular weight of 338.56 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide is sourced from PubChem (CID 167931660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).