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

C17H16F3N3O2 — CID 46512922

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Nc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-2-12(8-13)9-15(24)22-10-11-4-6-14(7-5-11)23-16(21)25/h1-8H,9-10H2,(H,22,24)(H3,21,23,25)
InChIKeyYWJADNKKKBHFBI-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.05
Rot. Bonds5

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

N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 46512922) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID46512922
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Nc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-2-12(8-13)9-15(24)22-10-11-4-6-14(7-5-11)23-16(21)25/h1-8H,9-10H2,(H,22,24)(H3,21,23,25)
InChIKeyYWJADNKKKBHFBI-UHFFFAOYSA-N
XLogP3.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69341997
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-[4-[[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111268119
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 46512922) is N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is NC(=O)Nc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YWJADNKKKBHFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-2-12(8-13)9-15(24)22-10-11-4-6-14(7-5-11)23-16(21)25/h1-8H,9-10H2,(H,22,24)(H3,21,23,25).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 351.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46512922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).