N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide

C30H26F3N3O2 — CID 70268536

IUPACN-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C30H26F3N3O2/c31-30(32,33)24-16-18-25(19-17-24)34-29(38)36-28(23-14-8-3-9-15-23)27(22-12-6-2-7-13-22)35-26(37)20-21-10-4-1-5-11-21/h1-19,27-28H,20H2,(H,35,37)(H2,34,36,38)/t27-,28-/m0/s1
InChIKeySZXPXZXWPZWTBC-NSOVKSMOSA-N
MW517.55 g/mol
LogP6.67
Rot. Bonds8

About N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide

N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide (PubChem CID 70268536) has the molecular formula C30H26F3N3O2 and a molecular weight of 517.55 g/mol. Its IUPAC name is N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide
PubChem CID70268536
Molecular FormulaC30H26F3N3O2
Molecular Weight517.55 g/mol
Exact Mass517.20
IUPAC NameN-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C30H26F3N3O2/c31-30(32,33)24-16-18-25(19-17-24)34-29(38)36-28(23-14-8-3-9-15-23)27(22-12-6-2-7-13-22)35-26(37)20-21-10-4-1-5-11-21/h1-19,27-28H,20H2,(H,35,37)(H2,34,36,38)/t27-,28-/m0/s1
InChIKeySZXPXZXWPZWTBC-NSOVKSMOSA-N
XLogP6.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.55
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S)-2-amino-1,2-diphenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 57063171
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
1-cyclooctyl-3-[1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea;methane
CID 173354355
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-phenyl-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]acetamide
CID 51315384
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide (CID 70268536) is N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide?
The InChIKey is SZXPXZXWPZWTBC-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H26F3N3O2/c31-30(32,33)24-16-18-25(19-17-24)34-29(38)36-28(23-14-8-3-9-15-23)27(22-12-6-2-7-13-22)35-26(37)20-21-10-4-1-5-11-21/h1-19,27-28H,20H2,(H,35,37)(H2,34,36,38)/t27-,28-/m0/s1.
What are the key properties of N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide?
N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide has a molecular weight of 517.55 g/mol, XLogP of 6.67, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 70268536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).