N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide

C15H12BrF3N4O2 — CID 67329878

IUPACN-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H12BrF3N4O2/c1-8(24)21-11-4-2-9(15(17,18)19)6-12(11)22-14(25)23-13-5-3-10(16)7-20-13/h2-7H,1H3,(H,21,24)(H2,20,22,23,25)
InChIKeyCAXSRGBOCJDELY-UHFFFAOYSA-N
MW417.19 g/mol
LogP4.47
Rot. Bonds3

About N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide

N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 67329878) has the molecular formula C15H12BrF3N4O2 and a molecular weight of 417.19 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide
PubChem CID67329878
Molecular FormulaC15H12BrF3N4O2
Molecular Weight417.19 g/mol
Exact Mass416.01
IUPAC NameN-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H12BrF3N4O2/c1-8(24)21-11-4-2-9(15(17,18)19)6-12(11)22-14(25)23-13-5-3-10(16)7-20-13/h2-7H,1H3,(H,21,24)(H2,20,22,23,25)
InChIKeyCAXSRGBOCJDELY-UHFFFAOYSA-N
XLogP4.47
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.19
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 71260039
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464156
5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 55233325
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea
CID 108910477
2-acetamido-N-(5-bromo-2-pyridinyl)benzamide
CID 166872715
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119707017
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 166229195
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea
CID 141145746
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17300332

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide (CID 67329878) is N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CAXSRGBOCJDELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N4O2/c1-8(24)21-11-4-2-9(15(17,18)19)6-12(11)22-14(25)23-13-5-3-10(16)7-20-13/h2-7H,1H3,(H,21,24)(H2,20,22,23,25).
What are the key properties of N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide?
N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 417.19 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67329878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).