N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide

C22H15ClF3N3O3 — CID 126224742

IUPACN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClF3N3O3/c23-17-9-7-13(8-10-17)20(31)28-29-21(32)15-4-2-6-18(12-15)27-19(30)14-3-1-5-16(11-14)22(24,25)26/h1-12H,(H,27,30)(H,28,31)(H,29,32)
InChIKeyFTXOLKAORQNGJK-UHFFFAOYSA-N
MW461.83 g/mol
LogP4.69
Rot. Bonds4

About N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 126224742) has the molecular formula C22H15ClF3N3O3 and a molecular weight of 461.83 g/mol. Its IUPAC name is N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID126224742
Molecular FormulaC22H15ClF3N3O3
Molecular Weight461.83 g/mol
Exact Mass461.08
IUPAC NameN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClF3N3O3/c23-17-9-7-13(8-10-17)20(31)28-29-21(32)15-4-2-6-18(12-15)27-19(30)14-3-1-5-16(11-14)22(24,25)26/h1-12H,(H,27,30)(H,28,31)(H,29,32)
InChIKeyFTXOLKAORQNGJK-UHFFFAOYSA-N
XLogP4.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.83
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167994
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide (CID 126224742) is N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide is O=C(NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FTXOLKAORQNGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3/c23-17-9-7-13(8-10-17)20(31)28-29-21(32)15-4-2-6-18(12-15)27-19(30)14-3-1-5-16(11-14)22(24,25)26/h1-12H,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 461.83 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126224742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).