2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide

C12H14ClFN2O2 — CID 43328957

IUPAC2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H14ClFN2O2/c1-8(13)11(17)15-12(18)16(2)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,17,18)
InChIKeyDJHOELSDZXTPKV-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.12
Rot. Bonds3

About 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide

2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide (PubChem CID 43328957) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide
PubChem CID43328957
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H14ClFN2O2/c1-8(13)11(17)15-12(18)16(2)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,17,18)
InChIKeyDJHOELSDZXTPKV-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010506
5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 28931995
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986587
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303
5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686189
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide (CID 43328957) is 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide is CC(Cl)C(=O)NC(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide?
The InChIKey is DJHOELSDZXTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-8(13)11(17)15-12(18)16(2)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,17,18).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide?
2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide has a molecular weight of 272.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide is sourced from PubChem (CID 43328957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).