3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide

C16H21ClF3N3O2 — CID 109016643

IUPAC3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCNc1cc(C(F)(F)F)ccc1Cl)NCCN1CCOCC1
InChIInChI=1S/C16H21ClF3N3O2/c17-13-2-1-12(16(18,19)20)11-14(13)21-4-3-15(24)22-5-6-23-7-9-25-10-8-23/h1-2,11,21H,3-10H2,(H,22,24)
InChIKeySGJNSQVPABWIBD-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.61
Rot. Bonds7

About 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 109016643) has the molecular formula C16H21ClF3N3O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID109016643
Molecular FormulaC16H21ClF3N3O2
Molecular Weight379.81 g/mol
Exact Mass379.13
IUPAC Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCNc1cc(C(F)(F)F)ccc1Cl)NCCN1CCOCC1
InChIInChI=1S/C16H21ClF3N3O2/c17-13-2-1-12(16(18,19)20)11-14(13)21-4-3-15(24)22-5-6-23-7-9-25-10-8-23/h1-2,11,21H,3-10H2,(H,22,24)
InChIKeySGJNSQVPABWIBD-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016986
3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016591
1-(4-acetylpiperazin-1-yl)-3-[2-chloro-5-(trifluoromethyl)anilino]propan-1-one
CID 109018223
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 109021116
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 87262022
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide (CID 109016643) is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCNc1cc(C(F)(F)F)ccc1Cl)NCCN1CCOCC1.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is SGJNSQVPABWIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N3O2/c17-13-2-1-12(16(18,19)20)11-14(13)21-4-3-15(24)22-5-6-23-7-9-25-10-8-23/h1-2,11,21H,3-10H2,(H,22,24).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide?
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 379.81 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 109016643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).