2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide

C10H10ClFN2O2 — CID 79049833

IUPAC2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide
SMILESCc1cc(F)cc(NC(=O)NC(=O)CCl)c1
InChIInChI=1S/C10H10ClFN2O2/c1-6-2-7(12)4-8(3-6)13-10(16)14-9(15)5-11/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyVFISGEGHMVINHW-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide

2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide (PubChem CID 79049833) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide
PubChem CID79049833
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide
SMILESCc1cc(F)cc(NC(=O)NC(=O)CCl)c1
InChIInChI=1S/C10H10ClFN2O2/c1-6-2-7(12)4-8(3-6)13-10(16)14-9(15)5-11/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyVFISGEGHMVINHW-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.02
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

N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
CID 83079339
N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421
2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
CID 62814110
2-(ethylamino)-N-(3-fluoro-5-methylphenyl)acetamide
CID 79049951
N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide
CID 82860744
N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
CID 4962265
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
4-(chloromethyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055449
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
CID 107614820
N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide (CID 79049833) is 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide is Cc1cc(F)cc(NC(=O)NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide?
The InChIKey is VFISGEGHMVINHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c1-6-2-7(12)4-8(3-6)13-10(16)14-9(15)5-11/h2-4H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide?
2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide has a molecular weight of 244.65 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 79049833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).