4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide

C15H12ClF3N4O2 — CID 2806021

IUPAC4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide
SMILESCc1cc(C(F)(F)F)cc(NNC(=O)NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClF3N4O2/c1-8-6-10(15(17,18)19)7-12(20-8)22-23-14(25)21-13(24)9-2-4-11(16)5-3-9/h2-7H,1H3,(H,20,22)(H2,21,23,24,25)
InChIKeyOEGGMCMBKMQOEQ-UHFFFAOYSA-N
MW372.73 g/mol
LogP3.53
Rot. Bonds3

About 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide

4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide (PubChem CID 2806021) has the molecular formula C15H12ClF3N4O2 and a molecular weight of 372.73 g/mol. Its IUPAC name is 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide
PubChem CID2806021
Molecular FormulaC15H12ClF3N4O2
Molecular Weight372.73 g/mol
Exact Mass372.06
IUPAC Name4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide
SMILESCc1cc(C(F)(F)F)cc(NNC(=O)NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClF3N4O2/c1-8-6-10(15(17,18)19)7-12(20-8)22-23-14(25)21-13(24)9-2-4-11(16)5-3-9/h2-7H,1H3,(H,20,22)(H2,21,23,24,25)
InChIKeyOEGGMCMBKMQOEQ-UHFFFAOYSA-N
XLogP3.53
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide?
The IUPAC name of 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide (CID 2806021) is 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide is Cc1cc(C(F)(F)F)cc(NNC(=O)NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide?
The InChIKey is OEGGMCMBKMQOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O2/c1-8-6-10(15(17,18)19)7-12(20-8)22-23-14(25)21-13(24)9-2-4-11(16)5-3-9/h2-7H,1H3,(H,20,22)(H2,21,23,24,25).
What are the key properties of 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide?
4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide has a molecular weight of 372.73 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]benzamide is sourced from PubChem (CID 2806021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).