N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

C17H16ClF2NO3S — CID 4148311

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClF2NO3S/c18-15-9-14(19)6-5-12(15)10-21-17(22)7-8-25(23,24)11-13-3-1-2-4-16(13)20/h1-6,9H,7-8,10-11H2,(H,21,22)
InChIKeyRMURHRHUVIVHRQ-UHFFFAOYSA-N
MW387.84 g/mol
LogP3.24
Rot. Bonds7

About N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 4148311) has the molecular formula C17H16ClF2NO3S and a molecular weight of 387.84 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
PubChem CID4148311
Molecular FormulaC17H16ClF2NO3S
Molecular Weight387.84 g/mol
Exact Mass387.05
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClF2NO3S/c18-15-9-14(19)6-5-12(15)10-21-17(22)7-8-25(23,24)11-13-3-1-2-4-16(13)20/h1-6,9H,7-8,10-11H2,(H,21,22)
InChIKeyRMURHRHUVIVHRQ-UHFFFAOYSA-N
XLogP3.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (CID 4148311) is N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is RMURHRHUVIVHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO3S/c18-15-9-14(19)6-5-12(15)10-21-17(22)7-8-25(23,24)11-13-3-1-2-4-16(13)20/h1-6,9H,7-8,10-11H2,(H,21,22).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 387.84 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4148311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).