4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide

C21H21ClF3N3O3 — CID 25331935

IUPAC4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H21ClF3N3O3/c22-16-4-1-14(2-5-16)20(30)26-8-7-19(29)27-17-13-15(21(23,24)25)3-6-18(17)28-9-11-31-12-10-28/h1-6,13H,7-12H2,(H,26,30)(H,27,29)
InChIKeyPVMUSOACDGICPC-UHFFFAOYSA-N
MW455.86 g/mol
LogP3.95
Rot. Bonds6

About 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide

4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide (PubChem CID 25331935) has the molecular formula C21H21ClF3N3O3 and a molecular weight of 455.86 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
PubChem CID25331935
Molecular FormulaC21H21ClF3N3O3
Molecular Weight455.86 g/mol
Exact Mass455.12
IUPAC Name4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H21ClF3N3O3/c22-16-4-1-14(2-5-16)20(30)26-8-7-19(29)27-17-13-15(21(23,24)25)3-6-18(17)28-9-11-31-12-10-28/h1-6,13H,7-12H2,(H,26,30)(H,27,29)
InChIKeyPVMUSOACDGICPC-UHFFFAOYSA-N
XLogP3.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.86
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73212858
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1086047
4-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 471630
2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 1328214
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2161594
1-(4-Chlorophenyl)-3-(3-fluoro-4-(morpholine-4-carbonyl)phenyl)urea
CID 24945518
6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142435842
6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 146313911
4-chloro-N-(2-piperidin-1-ylphenyl)benzamide
CID 675060
2-[(4-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 2803203
N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90456373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide (CID 25331935) is 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is PVMUSOACDGICPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O3/c22-16-4-1-14(2-5-16)20(30)26-8-7-19(29)27-17-13-15(21(23,24)25)3-6-18(17)28-9-11-31-12-10-28/h1-6,13H,7-12H2,(H,26,30)(H,27,29).
What are the key properties of 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide has a molecular weight of 455.86 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 25331935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).