2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

C16H14F3N3O2 — CID 770706

IUPAC2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC(=O)Nc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-6-8-13(9-7-11)21-14(23)10-20-15(24)22-12-4-2-1-3-5-12/h1-9H,10H2,(H,21,23)(H2,20,22,24)
InChIKeyQGWROETVQBQUJQ-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.47
Rot. Bonds4

About 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 770706) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID770706
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC(=O)Nc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-6-8-13(9-7-11)21-14(23)10-20-15(24)22-12-4-2-1-3-5-12/h1-9H,10H2,(H,21,23)(H2,20,22,24)
InChIKeyQGWROETVQBQUJQ-UHFFFAOYSA-N
XLogP3.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1055725
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
1-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98000588
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide
CID 1057508

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 770706) is 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNC(=O)Nc1ccccc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QGWROETVQBQUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)11-6-8-13(9-7-11)21-14(23)10-20-15(24)22-12-4-2-1-3-5-12/h1-9H,10H2,(H,21,23)(H2,20,22,24).
What are the key properties of 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 337.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 770706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).