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

C16H13ClF3N3O2 — CID 1057516

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC(=O)Nc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13ClF3N3O2/c17-11-2-1-3-13(8-11)23-15(25)21-9-14(24)22-12-6-4-10(5-7-12)16(18,19)20/h1-8H,9H2,(H,22,24)(H2,21,23,25)
InChIKeyGSMATVCFQMNDHZ-UHFFFAOYSA-N
MW371.75 g/mol
LogP4.12
Rot. Bonds4

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

2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 1057516) has the molecular formula C16H13ClF3N3O2 and a molecular weight of 371.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID1057516
Molecular FormulaC16H13ClF3N3O2
Molecular Weight371.75 g/mol
Exact Mass371.06
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC(=O)Nc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13ClF3N3O2/c17-11-2-1-3-13(8-11)23-15(25)21-9-14(24)22-12-6-4-10(5-7-12)16(18,19)20/h1-8H,9H2,(H,22,24)(H2,21,23,25)
InChIKeyGSMATVCFQMNDHZ-UHFFFAOYSA-N
XLogP4.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1055725
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
2-[(3-chlorophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110370543
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 71283389
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109033349
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 1057516) is 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNC(=O)Nc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GSMATVCFQMNDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O2/c17-11-2-1-3-13(8-11)23-15(25)21-9-14(24)22-12-6-4-10(5-7-12)16(18,19)20/h1-8H,9H2,(H,22,24)(H2,21,23,25).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 371.75 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1057516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).