N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide

C14H16ClF3N2O2 — CID 2725733

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H16ClF3N2O2/c15-11-2-1-10(14(16,17)18)9-12(11)19-13(21)3-4-20-5-7-22-8-6-20/h1-2,9H,3-8H2,(H,19,21)
InChIKeyILXNZFLNGTYEGN-UHFFFAOYSA-N
MW336.74 g/mol
LogP3.02
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 2725733) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide
PubChem CID2725733
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H16ClF3N2O2/c15-11-2-1-10(14(16,17)18)9-12(11)19-13(21)3-4-20-5-7-22-8-6-20/h1-2,9H,3-8H2,(H,19,21)
InChIKeyILXNZFLNGTYEGN-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
CID 882910
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(morpholin-4-yl)acetamide
CID 676222
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 1255941
N-(3-methylphenyl)-3-morpholin-4-ylpropanamide
CID 739956
N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 856364
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-2-(1-piperidinyl)acetamide
CID 2949775
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6467358
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-diethylethanediamide
CID 2196835
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3236841
[1-[4-Chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 156011259
N-[3-(aminomethyl)phenyl]-3-(morpholin-4-yl)propanamide
CID 16779009
Butyranilide, 2'-chloro-3-(diethylamino)-5'-ethyl-
CID 12911

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide (CID 2725733) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is ILXNZFLNGTYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c15-11-2-1-10(14(16,17)18)9-12(11)19-13(21)3-4-20-5-7-22-8-6-20/h1-2,9H,3-8H2,(H,19,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 336.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 2725733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).