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

C18H18ClF3N2O — CID 109036553

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O/c1-2-24(14-6-4-3-5-7-14)11-10-17(25)23-16-12-13(18(20,21)22)8-9-15(16)19/h3-9,12H,2,10-11H2,1H3,(H,23,25)
InChIKeyFPRFUNQFHQZJJO-UHFFFAOYSA-N
MW370.80 g/mol
LogP5.21
Rot. Bonds6

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide (PubChem CID 109036553) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
PubChem CID109036553
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O/c1-2-24(14-6-4-3-5-7-14)11-10-17(25)23-16-12-13(18(20,21)22)8-9-15(16)19/h3-9,12H,2,10-11H2,1H3,(H,23,25)
InChIKeyFPRFUNQFHQZJJO-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.80
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2162964
N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
CID 108984887
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate
CID 17258688

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide (CID 109036553) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide is CCN(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide?
The InChIKey is FPRFUNQFHQZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-2-24(14-6-4-3-5-7-14)11-10-17(25)23-16-12-13(18(20,21)22)8-9-15(16)19/h3-9,12H,2,10-11H2,1H3,(H,23,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide has a molecular weight of 370.80 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide is sourced from PubChem (CID 109036553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).