3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide

C17H14ClF3N2O2 — CID 110622808

IUPAC3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-4-2-1-3-11(14)5-10-15(24)22-12-6-8-13(9-7-12)23-16(25)17(19,20)21/h1-4,6-9H,5,10H2,(H,22,24)(H,23,25)
InChIKeyFCRMTLXCTAMAFJ-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.41
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide

3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide (PubChem CID 110622808) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
PubChem CID110622808
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-4-2-1-3-11(14)5-10-15(24)22-12-6-8-13(9-7-12)23-16(25)17(19,20)21/h1-4,6-9H,5,10H2,(H,22,24)(H,23,25)
InChIKeyFCRMTLXCTAMAFJ-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934902
3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933355
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035
N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 17179033
2,2,2-trifluoro-N-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]acetamide
CID 108933170
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17230319
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide (CID 110622808) is 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide is O=C(CCc1ccccc1Cl)Nc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The InChIKey is FCRMTLXCTAMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-14-4-2-1-3-11(14)5-10-15(24)22-12-6-8-13(9-7-12)23-16(25)17(19,20)21/h1-4,6-9H,5,10H2,(H,22,24)(H,23,25).
What are the key properties of 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide has a molecular weight of 370.76 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 110622808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).