N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide

C27H26F3N3O4 — CID 86299604

IUPACN-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
SMILESC[C@H](C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H26F3N3O4/c1-18(33-13-15-36-16-14-33)25(34)32-23-17-22(11-12-24(23)37-27(28,29)30)31-26(35)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H,31,35)(H,32,34)/t18-/m1/s1
InChIKeyIEFBLCUFYHAERP-GOSISDBHSA-N
MW513.52 g/mol
LogP5.16
Rot. Bonds7

About N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide

N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide (PubChem CID 86299604) has the molecular formula C27H26F3N3O4 and a molecular weight of 513.52 g/mol. Its IUPAC name is N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
PubChem CID86299604
Molecular FormulaC27H26F3N3O4
Molecular Weight513.52 g/mol
Exact Mass513.19
IUPAC NameN-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
SMILESC[C@H](C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H26F3N3O4/c1-18(33-13-15-36-16-14-33)25(34)32-23-17-22(11-12-24(23)37-27(28,29)30)31-26(35)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H,31,35)(H,32,34)/t18-/m1/s1
InChIKeyIEFBLCUFYHAERP-GOSISDBHSA-N
XLogP5.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethyl)phenyl]-4-phenylbenzamide
CID 90459105
N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide
CID 162238892
N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708
N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 118877652
N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 118385748
tert-butyl-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 129021633
tert-butyl N-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamate
CID 118393080
4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
CID 90458981
N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
CID 158279988
N-[5-(8-fluoro-4-oxo-7-phenylquinazolin-3-yl)-2-(trifluoromethoxy)phenyl]-2-(1,4-oxazepan-4-yl)propanamide
CID 138505488
N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90462215
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide (CID 86299604) is N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide is C[C@H](C(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide?
The InChIKey is IEFBLCUFYHAERP-GOSISDBHSA-N. The full InChI is InChI=1S/C27H26F3N3O4/c1-18(33-13-15-36-16-14-33)25(34)32-23-17-22(11-12-24(23)37-27(28,29)30)31-26(35)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,17-18H,13-16H2,1H3,(H,31,35)(H,32,34)/t18-/m1/s1.
What are the key properties of N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide?
N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide has a molecular weight of 513.52 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 86299604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).