2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide

C11H12ClFN2O2 — CID 43146314

IUPAC2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
SMILESCc1cc(F)ccc1NC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C11H12ClFN2O2/c1-6-5-8(13)3-4-9(6)14-11(17)15-10(16)7(2)12/h3-5,7H,1-2H3,(H2,14,15,16,17)
InChIKeyALSMAJUQTXIXMP-UHFFFAOYSA-N
MW258.68 g/mol
LogP2.41
Rot. Bonds2

About 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide

2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide (PubChem CID 43146314) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
PubChem CID43146314
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
SMILESCc1cc(F)ccc1NC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C11H12ClFN2O2/c1-6-5-8(13)3-4-9(6)14-11(17)15-10(16)7(2)12/h3-5,7H,1-2H3,(H2,14,15,16,17)
InChIKeyALSMAJUQTXIXMP-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 52.41
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-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
CID 43146418
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(4-fluoro-2-methylphenyl)-3-iodourea
CID 135276363
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
CID 43146320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide (CID 43146314) is 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide is Cc1cc(F)ccc1NC(=O)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide?
The InChIKey is ALSMAJUQTXIXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c1-6-5-8(13)3-4-9(6)14-11(17)15-10(16)7(2)12/h3-5,7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide?
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide has a molecular weight of 258.68 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 43146314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).