N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide

C14H16ClF3N2O2 — CID 75520574

IUPACN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H16ClF3N2O2/c15-12-7-11(19-13(21)8-14(16,17)18)2-1-10(12)9-20-3-5-22-6-4-20/h1-2,7H,3-6,8-9H2,(H,19,21)
InChIKeyHBXYODUBSRMIQC-UHFFFAOYSA-N
MW336.74 g/mol
LogP3.06
Rot. Bonds4

About N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide (PubChem CID 75520574) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
PubChem CID75520574
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H16ClF3N2O2/c15-12-7-11(19-13(21)8-14(16,17)18)2-1-10(12)9-20-3-5-22-6-4-20/h1-2,7H,3-6,8-9H2,(H,19,21)
InChIKeyHBXYODUBSRMIQC-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
CID 110609625
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110609639
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 155949254
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide
CID 75503898
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
CID 110664361
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide
CID 143323712
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide (CID 75520574) is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)Nc1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide?
The InChIKey is HBXYODUBSRMIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c15-12-7-11(19-13(21)8-14(16,17)18)2-1-10(12)9-20-3-5-22-6-4-20/h1-2,7H,3-6,8-9H2,(H,19,21).
What are the key properties of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide?
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide has a molecular weight of 336.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 75520574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).