N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide

C16H13ClF3NO — CID 756374

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)
InChIKeySVLPTSFNXDYPJY-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.93
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide (PubChem CID 756374) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
PubChem CID756374
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)
InChIKeySVLPTSFNXDYPJY-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide (CID 756374) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The InChIKey is SVLPTSFNXDYPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide has a molecular weight of 327.73 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 756374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).