N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide

C29H25ClF3N5O4 — CID 58674330

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide
SMILESO=C(CCc1cccc(Oc2ccnc(-c3ncc(C(=O)N4CCOCC4)[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C29H25ClF3N5O4/c30-23-6-5-19(15-22(23)29(31,32)33)36-26(39)7-4-18-2-1-3-20(14-18)42-21-8-9-34-24(16-21)27-35-17-25(37-27)28(40)38-10-12-41-13-11-38/h1-3,5-6,8-9,14-17H,4,7,10-13H2,(H,35,37)(H,36,39)
InChIKeyIIRBLOBXSKXSRA-UHFFFAOYSA-N
MW600.00 g/mol
LogP5.98
Rot. Bonds8

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide (PubChem CID 58674330) has the molecular formula C29H25ClF3N5O4 and a molecular weight of 600.00 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide
PubChem CID58674330
Molecular FormulaC29H25ClF3N5O4
Molecular Weight600.00 g/mol
Exact Mass599.15
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide
SMILESO=C(CCc1cccc(Oc2ccnc(-c3ncc(C(=O)N4CCOCC4)[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C29H25ClF3N5O4/c30-23-6-5-19(15-22(23)29(31,32)33)36-26(39)7-4-18-2-1-3-20(14-18)42-21-8-9-34-24(16-21)27-35-17-25(37-27)28(40)38-10-12-41-13-11-38/h1-3,5-6,8-9,14-17H,4,7,10-13H2,(H,35,37)(H,36,39)
InChIKeyIIRBLOBXSKXSRA-UHFFFAOYSA-N
XLogP5.98
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.00
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide (CID 58674330) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide is O=C(CCc1cccc(Oc2ccnc(-c3ncc(C(=O)N4CCOCC4)[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is IIRBLOBXSKXSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF3N5O4/c30-23-6-5-19(15-22(23)29(31,32)33)36-26(39)7-4-18-2-1-3-20(14-18)42-21-8-9-34-24(16-21)27-35-17-25(37-27)28(40)38-10-12-41-13-11-38/h1-3,5-6,8-9,14-17H,4,7,10-13H2,(H,35,37)(H,36,39).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 600.00 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 58674330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).