N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide

C16H14F3N3O2 — CID 970620

IUPACN-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3N3O2/c1-10(23)20-13-6-3-7-14(9-13)22-15(24)21-12-5-2-4-11(8-12)16(17,18)19/h2-9H,1H3,(H,20,23)(H2,21,22,24)
InChIKeyWUPWNVBDAPCJAX-UHFFFAOYSA-N
MW337.30 g/mol
LogP4.31
Rot. Bonds3

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

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 970620) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
PubChem CID970620
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC NameN-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3N3O2/c1-10(23)20-13-6-3-7-14(9-13)22-15(24)21-12-5-2-4-11(8-12)16(17,18)19/h2-9H,1H3,(H,20,23)(H2,21,22,24)
InChIKeyWUPWNVBDAPCJAX-UHFFFAOYSA-N
XLogP4.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
2-oxo-N-[3-(trifluoromethyl)phenyl]propanethioamide
CID 141059114
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 165053769
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide (CID 970620) is N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is WUPWNVBDAPCJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-10(23)20-13-6-3-7-14(9-13)22-15(24)21-12-5-2-4-11(8-12)16(17,18)19/h2-9H,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide?
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 337.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 970620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).