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

C16H12ClF4N3O2 — CID 1055725

IUPAC2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12ClF4N3O2/c17-12-7-11(5-6-13(12)18)24-15(26)22-8-14(25)23-10-3-1-9(2-4-10)16(19,20)21/h1-7H,8H2,(H,23,25)(H2,22,24,26)
InChIKeyXXWFIHIDNVMSGS-UHFFFAOYSA-N
MW389.74 g/mol
LogP4.26
Rot. Bonds4

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

2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 1055725) has the molecular formula C16H12ClF4N3O2 and a molecular weight of 389.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID1055725
Molecular FormulaC16H12ClF4N3O2
Molecular Weight389.74 g/mol
Exact Mass389.06
IUPAC Name2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12ClF4N3O2/c17-12-7-11(5-6-13(12)18)24-15(26)22-8-14(25)23-10-3-1-9(2-4-10)16(19,20)21/h1-7H,8H2,(H,23,25)(H2,22,24,26)
InChIKeyXXWFIHIDNVMSGS-UHFFFAOYSA-N
XLogP4.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.74
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 60598073
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 1055725) is 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XXWFIHIDNVMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4N3O2/c17-12-7-11(5-6-13(12)18)24-15(26)22-8-14(25)23-10-3-1-9(2-4-10)16(19,20)21/h1-7H,8H2,(H,23,25)(H2,22,24,26).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 389.74 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1055725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).