2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C18H18F3N3O2 — CID 18164591

IUPAC2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-8-6-13(7-9-14)11-23-16(25)15(24-17(22)26)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,23,25)(H3,22,24,26)
InChIKeySBBVEWHHSLWKOX-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.60
Rot. Bonds6

About 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 18164591) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID18164591
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-8-6-13(7-9-14)11-23-16(25)15(24-17(22)26)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,23,25)(H3,22,24,26)
InChIKeySBBVEWHHSLWKOX-UHFFFAOYSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 18164481
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[1-oxo-3-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 154858162
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
tert-butyl N-[3-(4-hydroxyphenyl)-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 175450551
N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 123411994
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[1-[[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]benzamide
CID 78024139

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 18164591) is 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is NC(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is SBBVEWHHSLWKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)14-8-6-13(7-9-14)11-23-16(25)15(24-17(22)26)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,23,25)(H3,22,24,26).
What are the key properties of 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 365.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18164591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).