N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide

C19H15ClF3N3O2 — CID 4905863

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H15ClF3N3O2/c1-2-16(26-10-24-15-6-4-3-5-12(15)18(26)28)17(27)25-11-7-8-14(20)13(9-11)19(21,22)23/h3-10,16H,2H2,1H3,(H,25,27)
InChIKeyABHZQPGRKOZNIA-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.66
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 4905863) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide
PubChem CID4905863
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H15ClF3N3O2/c1-2-16(26-10-24-15-6-4-3-5-12(15)18(26)28)17(27)25-11-7-8-14(20)13(9-11)19(21,22)23/h3-10,16H,2H2,1H3,(H,25,27)
InChIKeyABHZQPGRKOZNIA-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide (CID 4905863) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide is CCC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnc2ccccc2c1=O.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is ABHZQPGRKOZNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-2-16(26-10-24-15-6-4-3-5-12(15)18(26)28)17(27)25-11-7-8-14(20)13(9-11)19(21,22)23/h3-10,16H,2H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 409.80 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 4905863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).