2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide

C10H10ClFN2O2 — CID 60724464

IUPAC2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide
SMILESCN(C(=O)NC(=O)CCl)c1ccccc1F
InChIInChI=1S/C10H10ClFN2O2/c1-14(10(16)13-9(15)6-11)8-5-3-2-4-7(8)12/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyDTTMXZQYGKUSFV-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.74
Rot. Bonds2

About 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide

2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide (PubChem CID 60724464) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide
PubChem CID60724464
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide
SMILESCN(C(=O)NC(=O)CCl)c1ccccc1F
InChIInChI=1S/C10H10ClFN2O2/c1-14(10(16)13-9(15)6-11)8-5-3-2-4-7(8)12/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyDTTMXZQYGKUSFV-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027766
2-(2-fluoro-N-methylanilino)-N-hydroxyacetamide
CID 130405686
3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162694
N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide
CID 58474928
N-(2-fluorophenyl)-N-methylpentanamide
CID 174907677
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62474880
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
CID 115179779
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816362
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085236
N-(2-fluorophenyl)-4-hydrazinyl-N-methylbenzamide
CID 62249119

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide (CID 60724464) is 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide is CN(C(=O)NC(=O)CCl)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide?
The InChIKey is DTTMXZQYGKUSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c1-14(10(16)13-9(15)6-11)8-5-3-2-4-7(8)12/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide?
2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide has a molecular weight of 244.65 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide is sourced from PubChem (CID 60724464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).